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

C16H15NO2 — CID 8872415

IUPAC(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H15NO2/c1-11-6-2-4-8-13(11)17-16(18)15-10-12-7-3-5-9-14(12)19-15/h2-9,15H,10H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyRTSHMVURJFRDIG-HNNXBMFYSA-N
MW253.30 g/mol
LogP2.94
Rot. Bonds2

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

(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 8872415) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID8872415
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H15NO2/c1-11-6-2-4-8-13(11)17-16(18)15-10-12-7-3-5-9-14(12)19-15/h2-9,15H,10H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyRTSHMVURJFRDIG-HNNXBMFYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56812846
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 8872415) is (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RTSHMVURJFRDIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-6-2-4-8-13(11)17-16(18)15-10-12-7-3-5-9-14(12)19-15/h2-9,15H,10H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8872415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).