2-oxo-3-phenylchromene-4-carboxamide

C16H11NO3 — CID 168655029

IUPAC2-oxo-3-phenylchromene-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C16H11NO3/c17-15(18)14-11-8-4-5-9-12(11)20-16(19)13(14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)
InChIKeyBHQNOUICSQVWCT-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.56
Rot. Bonds2

About 2-oxo-3-phenylchromene-4-carboxamide

2-oxo-3-phenylchromene-4-carboxamide (PubChem CID 168655029) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-oxo-3-phenylchromene-4-carboxamide.

Molecular Properties

Compound Name2-oxo-3-phenylchromene-4-carboxamide
PubChem CID168655029
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-oxo-3-phenylchromene-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C16H11NO3/c17-15(18)14-11-8-4-5-9-12(11)20-16(19)13(14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)
InChIKeyBHQNOUICSQVWCT-UHFFFAOYSA-N
XLogP2.56
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.56
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

4-amino-3-phenylchromen-2-one
CID 617040
3-acetyl-4-phenylchromen-2-one
CID 56965161
3-benzoyl-4-phenylchromen-2-one
CID 629843
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
4-anilino-3-phenylchromen-2-one
CID 2785512
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
CID 102329972
4-(methoxymethyl)-2-oxochromene-3-carboxamide
CID 173091593
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167
3-ethenyl-4-phenylchromen-2-one
CID 24787269
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenylchromene-4-carboxamide?
The IUPAC name of 2-oxo-3-phenylchromene-4-carboxamide (CID 168655029) is 2-oxo-3-phenylchromene-4-carboxamide.
What is the SMILES notation for 2-oxo-3-phenylchromene-4-carboxamide?
The canonical SMILES for 2-oxo-3-phenylchromene-4-carboxamide is NC(=O)c1c(-c2ccccc2)c(=O)oc2ccccc12.
What is the InChIKey of 2-oxo-3-phenylchromene-4-carboxamide?
The InChIKey is BHQNOUICSQVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c17-15(18)14-11-8-4-5-9-12(11)20-16(19)13(14)10-6-2-1-3-7-10/h1-9H,(H2,17,18).
What are the key properties of 2-oxo-3-phenylchromene-4-carboxamide?
2-oxo-3-phenylchromene-4-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenylchromene-4-carboxamide is sourced from PubChem (CID 168655029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).