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

C16H10ClNO3 — CID 724205

IUPACN-(3-chlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKeyHIAOLTCVCGLFPP-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.70
Rot. Bonds2

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

N-(3-chlorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 724205) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-oxochromene-3-carboxamide
PubChem CID724205
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC NameN-(3-chlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKeyHIAOLTCVCGLFPP-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-oxochromene-3-carboxamide (CID 724205) is N-(3-chlorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is HIAOLTCVCGLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-2-oxochromene-3-carboxamide?
N-(3-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-(3-chlorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 724205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).