N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
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![N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e4220bf779ce45e0b1759918a2adb606.png "N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide")
N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
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CAS No:
333972-41-1
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Formula:
C22H27FN2O4
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Chemical Name:
N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
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Synonyms:
SMR000344027;MLS000770873;MLS001175459;CHEMBL1882649;HMS2719H06;ZINC2647237;AKOS034826953;MCULE-8763947143;Z56982546;(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)formamido]-3-methylbutanamide;333972-41-1
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CAS No:
N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Basic Attributes
402.5 g/mol
402.19548551 g/mol
Computed Properties
Molecular Weight:402.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:402.19548551
Monoisotopic Mass:402.19548551
Topological Polar Surface Area:76.7
Heavy Atom Count:29
Complexity:531
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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