N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 150997977

IUPACN-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
SMILESN[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c18-14(12-6-2-1-3-7-12)11-19-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-10,14H,11,18H2,(H,19,20)/t14-/m1/s1
InChIKeyLTMSXSNTPZXMKQ-CQSZACIVSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds4

About N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide

N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide (PubChem CID 150997977) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
PubChem CID150997977
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
SMILESN[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c18-14(12-6-2-1-3-7-12)11-19-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-10,14H,11,18H2,(H,19,20)/t14-/m1/s1
InChIKeyLTMSXSNTPZXMKQ-CQSZACIVSA-N
XLogP2.86
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
CID 99872827
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide (CID 150997977) is N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide is N[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is LTMSXSNTPZXMKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-14(12-6-2-1-3-7-12)11-19-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-10,14H,11,18H2,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide?
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 150997977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).