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

C16H10ClNO3 — CID 724206

IUPACN-(4-chlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKeyRAXJGYMESDOVRB-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.70
Rot. Bonds2

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

N-(4-chlorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 724206) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxochromene-3-carboxamide
PubChem CID724206
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC NameN-(4-chlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKeyRAXJGYMESDOVRB-UHFFFAOYSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Acetyloxy)-N-(4-chlorophenyl)-3,5-diiodobenzamide
CID 26695
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612
N-(3-chlorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724205
N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724184
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
N-(3,4-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724195
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxochromene-3-carboxamide (CID 724206) is N-(4-chlorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is RAXJGYMESDOVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2-oxochromene-3-carboxamide?
N-(4-chlorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 299.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 724206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).