7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide

C16H11NO4 — CID 5400404

IUPAC7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19)
InChIKeyBSNFVFFEEGERCW-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.75
Rot. Bonds2

About 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide

7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 5400404) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID5400404
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19)
InChIKeyBSNFVFFEEGERCW-UHFFFAOYSA-N
XLogP2.75
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-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
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide
CID 680602
3-Carboxamido coumarin, 22
CID 4914973
N-(2,4-Difluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599317

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide (CID 5400404) is 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide is O=C(Nc1ccccc1)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is BSNFVFFEEGERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19).
What are the key properties of 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 5400404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).