(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H16N2O3 — CID 41045133

IUPAC(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C17H16N2O3/c1-11(20)18-13-6-4-7-14(10-13)19-17(21)16-9-12-5-2-3-8-15(12)22-16/h2-8,10,16H,9H2,1H3,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeyWWQFFVHGVQYDJF-MRXNPFEDSA-N
MW296.33 g/mol
LogP2.59
Rot. Bonds3

About (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 41045133) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID41045133
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C17H16N2O3/c1-11(20)18-13-6-4-7-14(10-13)19-17(21)16-9-12-5-2-3-8-15(12)22-16/h2-8,10,16H,9H2,1H3,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeyWWQFFVHGVQYDJF-MRXNPFEDSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083240
(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-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
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
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003658
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 41045133) is (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1.
What is the InChIKey of (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WWQFFVHGVQYDJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11(20)18-13-6-4-7-14(10-13)19-17(21)16-9-12-5-2-3-8-15(12)22-16/h2-8,10,16H,9H2,1H3,(H,18,20)(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41045133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).