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N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide structure

CAS No:
123266-61-5
Formula:
C16H21IN2O2
Chemical Name:
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide
Synonyms:
5-iodo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydrobenzofurancarboxamide; 7-Benzofurancarboxamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydro-5-iodo-,(S)-(9CI);

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N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide Basic Attributes

Molecular Weight：

400.25500

Exact Mass：

400.06478

Characteristics

PSA：

45.06000

XLogP3：

2.97340

Density：

1.508g/cm3

Boiling Point：

437.5ºC at 760mmHg

Flash Point：

218.4ºC

Refractive Index：

1.604

Vapor Pressure：

7.42E-08mmHg at 25°C

Drug Information

MeSH Entry Terms：

125I-IBF

Computed Properties

Molecular Weight:400.25
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:400.06478
Monoisotopic Mass:400.06478
Topological Polar Surface Area:41.6
Heavy Atom Count:21
Complexity:379
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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