N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C24H20N2O4 — CID 7914455

IUPACN-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1
InChIInChI=1S/C24H20N2O4/c1-16(27)25-17-8-7-9-18(14-17)26-24(28)23-21(15-29-19-10-3-2-4-11-19)20-12-5-6-13-22(20)30-23/h2-14H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBECDLUHOEDFIKT-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.22
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 7914455) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID7914455
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1
InChIInChI=1S/C24H20N2O4/c1-16(27)25-17-8-7-9-18(14-17)26-24(28)23-21(15-29-19-10-3-2-4-11-19)20-12-5-6-13-22(20)30-23/h2-14H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBECDLUHOEDFIKT-UHFFFAOYSA-N
XLogP5.22
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 39500037
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 42971745
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903996
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 34772261
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 7914455) is N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is BECDLUHOEDFIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16(27)25-17-8-7-9-18(14-17)26-24(28)23-21(15-29-19-10-3-2-4-11-19)20-12-5-6-13-22(20)30-23/h2-14H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7914455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).