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

C17H14ClNO2 — CID 7899827

IUPAC7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C17H14ClNO2/c1-10-6-8-12(9-7-10)19-17(20)15-11(2)13-4-3-5-14(18)16(13)21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyNQNWGWVPPFTBOQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.96
Rot. Bonds2

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

7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 7899827) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID7899827
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C17H14ClNO2/c1-10-6-8-12(9-7-10)19-17(20)15-11(2)13-4-3-5-14(18)16(13)21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyNQNWGWVPPFTBOQ-UHFFFAOYSA-N
XLogP4.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
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
7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2524131
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55539961
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide (CID 7899827) is 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1.
What is the InChIKey of 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is NQNWGWVPPFTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-6-8-12(9-7-10)19-17(20)15-11(2)13-4-3-5-14(18)16(13)21-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7899827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).