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

C17H13NO3 — CID 599290

IUPACN-(4-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeyRYYPYTSGWXNKDU-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.35
Rot. Bonds2

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

N-(4-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 599290) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID599290
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-(4-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeyRYYPYTSGWXNKDU-UHFFFAOYSA-N
XLogP3.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.35
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-(4-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-oxochromene-3-carboxamide (CID 599290) is N-(4-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxochromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is RYYPYTSGWXNKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
N-(4-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 599290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).