N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide

C18H14ClNO3 — CID 7945365

IUPACN-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C18H14ClNO3/c1-10-14-4-3-5-15(19)17(14)23-16(10)18(22)20-13-8-6-12(7-9-13)11(2)21/h3-9H,1-2H3,(H,20,22)
InChIKeyJYNDMBFEKZRPDT-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.85
Rot. Bonds3

About N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7945365) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7945365
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC NameN-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C18H14ClNO3/c1-10-14-4-3-5-15(19)17(14)23-16(10)18(22)20-13-8-6-12(7-9-13)11(2)21/h3-9H,1-2H3,(H,20,22)
InChIKeyJYNDMBFEKZRPDT-UHFFFAOYSA-N
XLogP4.85
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7924968
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide
CID 25498313
7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 46416324
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 7945365) is N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide is CC(=O)c1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JYNDMBFEKZRPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-10-14-4-3-5-15(19)17(14)23-16(10)18(22)20-13-8-6-12(7-9-13)11(2)21/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).