N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide

C24H16ClNO4 — CID 100794292

IUPACN-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc12
InChIInChI=1S/C24H16ClNO4/c1-14-6-5-9-16-12-19(24(29)30-22(14)16)23(28)26-20-11-10-17(25)13-18(20)21(27)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)
InChIKeyBSBOWSDRHBWZGU-UHFFFAOYSA-N
MW417.85 g/mol
LogP5.24
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide (PubChem CID 100794292) has the molecular formula C24H16ClNO4 and a molecular weight of 417.85 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
PubChem CID100794292
Molecular FormulaC24H16ClNO4
Molecular Weight417.85 g/mol
Exact Mass417.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc12
InChIInChI=1S/C24H16ClNO4/c1-14-6-5-9-16-12-19(24(29)30-22(14)16)23(28)26-20-11-10-17(25)13-18(20)21(27)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)
InChIKeyBSBOWSDRHBWZGU-UHFFFAOYSA-N
XLogP5.24
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.85
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402995
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
CID 100794805
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454982

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide (CID 100794292) is N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide is Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc12.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide?
The InChIKey is BSBOWSDRHBWZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO4/c1-14-6-5-9-16-12-19(24(29)30-22(14)16)23(28)26-20-11-10-17(25)13-18(20)21(27)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide has a molecular weight of 417.85 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).