N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide

C24H18ClNO4 — CID 4898812

IUPACN-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C24H18ClNO4/c1-14-4-3-5-16(12-14)21-22(27)19-13-17(25)8-11-20(19)30-24(21)26-23(28)15-6-9-18(29-2)10-7-15/h3-13H,1-2H3,(H,26,28)
InChIKeyKGVWAGMGJAWDHA-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.68
Rot. Bonds4

About N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide

N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide (PubChem CID 4898812) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
PubChem CID4898812
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC NameN-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C24H18ClNO4/c1-14-4-3-5-16(12-14)21-22(27)19-13-17(25)8-11-20(19)30-24(21)26-23(28)15-6-9-18(29-2)10-7-15/h3-13H,1-2H3,(H,26,28)
InChIKeyKGVWAGMGJAWDHA-UHFFFAOYSA-N
XLogP5.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-3-(3-methoxyphenyl)-4-oxochromen-2-yl]-3-nitrobenzamide
CID 4900106
N-[6-chloro-3-(3,4-dimethoxyphenyl)-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4898865
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide
CID 4895274
4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
N-[3-(1,3-benzodioxol-5-yl)-6-chloro-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4896449
N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide
CID 4870359
4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 7463129
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
CID 4905865
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide (CID 4898812) is N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)cc1.
What is the InChIKey of N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide?
The InChIKey is KGVWAGMGJAWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO4/c1-14-4-3-5-16(12-14)21-22(27)19-13-17(25)8-11-20(19)30-24(21)26-23(28)15-6-9-18(29-2)10-7-15/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide?
N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide has a molecular weight of 419.86 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 4898812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).