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

C23H14ClNO4 — CID 7126144

IUPACN-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C23H14ClNO4/c24-15-10-11-19(17(12-15)21(26)14-6-2-1-3-7-14)25-23(28)18-13-29-20-9-5-4-8-16(20)22(18)27/h1-13H,(H,25,28)
InChIKeyBEKMPKHMZSVEGI-UHFFFAOYSA-N
MW403.82 g/mol
LogP4.93
Rot. Bonds4

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

N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide (PubChem CID 7126144) has the molecular formula C23H14ClNO4 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
PubChem CID7126144
Molecular FormulaC23H14ClNO4
Molecular Weight403.82 g/mol
Exact Mass403.06
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C23H14ClNO4/c24-15-10-11-19(17(12-15)21(26)14-6-2-1-3-7-14)25-23(28)18-13-29-20-9-5-4-8-16(20)22(18)27/h1-13H,(H,25,28)
InChIKeyBEKMPKHMZSVEGI-UHFFFAOYSA-N
XLogP4.93
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
CID 46846331
N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
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N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
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N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
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N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
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CID 1354566

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide (CID 7126144) is N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide is O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1coc2ccccc2c1=O.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide?
The InChIKey is BEKMPKHMZSVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO4/c24-15-10-11-19(17(12-15)21(26)14-6-2-1-3-7-14)25-23(28)18-13-29-20-9-5-4-8-16(20)22(18)27/h1-13H,(H,25,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide has a molecular weight of 403.82 g/mol, XLogP of 4.93, 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)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 7126144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).