3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide

C24H19ClN2O3 — CID 16817884

IUPAC3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C24H19ClN2O3/c1-14-10-11-18(12-15(14)2)26-24(29)22-21(19-8-3-4-9-20(19)30-22)27-23(28)16-6-5-7-17(25)13-16/h3-13H,1-2H3,(H,26,29)(H,27,28)
InChIKeyIXIAJPMROTXPEF-UHFFFAOYSA-N
MW418.88 g/mol
LogP6.21
Rot. Bonds4

About 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide

3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 16817884) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID16817884
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C24H19ClN2O3/c1-14-10-11-18(12-15(14)2)26-24(29)22-21(19-8-3-4-9-20(19)30-22)27-23(28)16-6-5-7-17(25)13-16/h3-13H,1-2H3,(H,26,29)(H,27,28)
InChIKeyIXIAJPMROTXPEF-UHFFFAOYSA-N
XLogP6.21
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
5-[(3-chlorobenzoyl)amino]-3-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 50847080
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
CID 7200167
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide (CID 16817884) is 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1C.
What is the InChIKey of 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is IXIAJPMROTXPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-14-10-11-18(12-15(14)2)26-24(29)22-21(19-8-3-4-9-20(19)30-22)27-23(28)16-6-5-7-17(25)13-16/h3-13H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16817884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).