N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide

C19H17NO3 — CID 19959494

IUPACN-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1
InChIInChI=1S/C19H17NO3/c1-11-4-6-14(7-5-11)18(22)19-12(2)16-9-8-15(20-13(3)21)10-17(16)23-19/h4-10H,1-3H3,(H,20,21)
InChIKeyFIQMROUYSDSLFA-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.24
Rot. Bonds3

About N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide

N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide (PubChem CID 19959494) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
PubChem CID19959494
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1
InChIInChI=1S/C19H17NO3/c1-11-4-6-14(7-5-11)18(22)19-12(2)16-9-8-15(20-13(3)21)10-17(16)23-19/h4-10H,1-3H3,(H,20,21)
InChIKeyFIQMROUYSDSLFA-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
2-[[3-methyl-2-(4-phenylbenzoyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid
CID 19417828
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 20931096
2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
CID 26773546
N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide
CID 110275052
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide?
The IUPAC name of N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide (CID 19959494) is N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide?
The canonical SMILES for N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide is CC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1.
What is the InChIKey of N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide?
The InChIKey is FIQMROUYSDSLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-4-6-14(7-5-11)18(22)19-12(2)16-9-8-15(20-13(3)21)10-17(16)23-19/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide?
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide is sourced from PubChem (CID 19959494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).