7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide

C23H18ClNO3 — CID 7924968

IUPAC7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3oc4c(Cl)cccc4c3C)cc2)c1
InChIInChI=1S/C23H18ClNO3/c1-14-5-3-6-18(13-14)27-17-11-9-16(10-12-17)25-23(26)21-15(2)19-7-4-8-20(24)22(19)28-21/h3-13H,1-2H3,(H,25,26)
InChIKeyOHLQHRKQSSWPTO-UHFFFAOYSA-N
MW391.85 g/mol
LogP6.75
Rot. Bonds4

About 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 7924968) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID7924968
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3oc4c(Cl)cccc4c3C)cc2)c1
InChIInChI=1S/C23H18ClNO3/c1-14-5-3-6-18(13-14)27-17-11-9-16(10-12-17)25-23(26)21-15(2)19-7-4-8-20(24)22(19)28-21/h3-13H,1-2H3,(H,25,26)
InChIKeyOHLQHRKQSSWPTO-UHFFFAOYSA-N
XLogP6.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 56.75
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
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55539961
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 46416324

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide (CID 7924968) is 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide is Cc1cccc(Oc2ccc(NC(=O)c3oc4c(Cl)cccc4c3C)cc2)c1.
What is the InChIKey of 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is OHLQHRKQSSWPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c1-14-5-3-6-18(13-14)27-17-11-9-16(10-12-17)25-23(26)21-15(2)19-7-4-8-20(24)22(19)28-21/h3-13H,1-2H3,(H,25,26).
What are the key properties of 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 391.85 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7924968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).