N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide

C18H15NO3 — CID 20677387

IUPACN-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H15NO3/c1-12(20)14-8-6-13(7-9-14)11-19-18(21)17-10-15-4-2-3-5-16(15)22-17/h2-10H,11H2,1H3,(H,19,21)
InChIKeyMMDXGVYRWBJPSR-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.57
Rot. Bonds4

About N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide

N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 20677387) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID20677387
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H15NO3/c1-12(20)14-8-6-13(7-9-14)11-19-18(21)17-10-15-4-2-3-5-16(15)22-17/h2-10H,11H2,1H3,(H,19,21)
InChIKeyMMDXGVYRWBJPSR-UHFFFAOYSA-N
XLogP3.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
CID 71476314
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46487608
N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20856926
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
CID 137452341
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 20677387) is N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide is CC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MMDXGVYRWBJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)14-8-6-13(7-9-14)11-19-18(21)17-10-15-4-2-3-5-16(15)22-17/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20677387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).