5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide

C23H17ClN2O4 — CID 50847080

IUPAC5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2)oc2ccc(NC(=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C23H17ClN2O4/c1-29-20-18-13-17(26-22(27)14-6-5-7-15(24)12-14)10-11-19(18)30-21(20)23(28)25-16-8-3-2-4-9-16/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyJSXOILDKYOTNSF-UHFFFAOYSA-N
MW420.85 g/mol
LogP5.60
Rot. Bonds5

About 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide

5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 50847080) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID50847080
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2)oc2ccc(NC(=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C23H17ClN2O4/c1-29-20-18-13-17(26-22(27)14-6-5-7-15(24)12-14)10-11-19(18)30-21(20)23(28)25-16-8-3-2-4-9-16/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyJSXOILDKYOTNSF-UHFFFAOYSA-N
XLogP5.60
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.85
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 50846758
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17103583
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide (CID 50847080) is 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide is COc1c(C(=O)Nc2ccccc2)oc2ccc(NC(=O)c3cccc(Cl)c3)cc12.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is JSXOILDKYOTNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-29-20-18-13-17(26-22(27)14-6-5-7-15(24)12-14)10-11-19(18)30-21(20)23(28)25-16-8-3-2-4-9-16/h2-13H,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 420.85 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50847080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).