N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide

C24H16ClNO5 — CID 100795259

IUPACN-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H16ClNO5/c1-30-17-9-7-15-11-19(24(29)31-21(15)13-17)23(28)26-20-10-8-16(25)12-18(20)22(27)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)
InChIKeyMOTYRYAQWOBVRY-UHFFFAOYSA-N
MW433.85 g/mol
LogP4.94
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 100795259) has the molecular formula C24H16ClNO5 and a molecular weight of 433.85 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID100795259
Molecular FormulaC24H16ClNO5
Molecular Weight433.85 g/mol
Exact Mass433.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H16ClNO5/c1-30-17-9-7-15-11-19(24(29)31-21(15)13-17)23(28)26-20-10-8-16(25)12-18(20)22(27)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)
InChIKeyMOTYRYAQWOBVRY-UHFFFAOYSA-N
XLogP4.94
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794292
N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262140
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508722
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795278
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide (CID 100795259) is N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc2c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is MOTYRYAQWOBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO5/c1-30-17-9-7-15-11-19(24(29)31-21(15)13-17)23(28)26-20-10-8-16(25)12-18(20)22(27)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 433.85 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100795259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).