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

C16H10ClNO4 — CID 54699388

IUPACN-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO4/c17-9-4-3-5-10(8-9)18-15(20)13-14(19)11-6-1-2-7-12(11)22-16(13)21/h1-8,19H,(H,18,20)
InChIKeyVYCKOOGFLWWOEM-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.40
Rot. Bonds2

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

N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54699388) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54699388
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC NameN-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO4/c17-9-4-3-5-10(8-9)18-15(20)13-14(19)11-6-1-2-7-12(11)22-16(13)21/h1-8,19H,(H,18,20)
InChIKeyVYCKOOGFLWWOEM-UHFFFAOYSA-N
XLogP3.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54699388) is N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is VYCKOOGFLWWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-9-4-3-5-10(8-9)18-15(20)13-14(19)11-6-1-2-7-12(11)22-16(13)21/h1-8,19H,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 315.71 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54699388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).