N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide

C19H17NO3 — CID 7464080

IUPACN-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1
InChIInChI=1S/C19H17NO3/c1-11-4-9-17-16(10-11)12(2)18(23-17)19(22)20-15-7-5-14(6-8-15)13(3)21/h4-10H,1-3H3,(H,20,22)
InChIKeyJIESOKBLTXAMNI-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.50
Rot. Bonds3

About N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide

N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 7464080) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID7464080
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1
InChIInChI=1S/C19H17NO3/c1-11-4-9-17-16(10-11)12(2)18(23-17)19(22)20-15-7-5-14(6-8-15)13(3)21/h4-10H,1-3H3,(H,20,22)
InChIKeyJIESOKBLTXAMNI-UHFFFAOYSA-N
XLogP4.50
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1339791
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 27104970
[2-(4-acetylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554531
2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 19241107
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
CID 26773546

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 7464080) is N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide is CC(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is JIESOKBLTXAMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-4-9-17-16(10-11)12(2)18(23-17)19(22)20-15-7-5-14(6-8-15)13(3)21/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7464080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).