(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H12N2O2 — CID 9083240

IUPAC(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C16H12N2O2/c17-10-11-4-3-6-13(8-11)18-16(19)15-9-12-5-1-2-7-14(12)20-15/h1-8,15H,9H2,(H,18,19)/t15-/m0/s1
InChIKeyJPCJEMMMYXJMSX-HNNXBMFYSA-N
MW264.28 g/mol
LogP2.50
Rot. Bonds2

About (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9083240) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9083240
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C16H12N2O2/c17-10-11-4-3-6-13(8-11)18-16(19)15-9-12-5-1-2-7-14(12)20-15/h1-8,15H,9H2,(H,18,19)/t15-/m0/s1
InChIKeyJPCJEMMMYXJMSX-HNNXBMFYSA-N
XLogP2.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103799791
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841
(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124607890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9083240) is (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is N#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JPCJEMMMYXJMSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-10-11-4-3-6-13(8-11)18-16(19)15-9-12-5-1-2-7-14(12)20-15/h1-8,15H,9H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9083240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).