4-methyl-N-(2-oxochromen-3-yl)benzamide

C17H13NO3 — CID 3988576

IUPAC4-methyl-N-(2-oxochromen-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)16(19)18-14-10-13-4-2-3-5-15(13)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeySQYXRCZZAACTMO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.35
Rot. Bonds2

About 4-methyl-N-(2-oxochromen-3-yl)benzamide

4-methyl-N-(2-oxochromen-3-yl)benzamide (PubChem CID 3988576) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-N-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxochromen-3-yl)benzamide
PubChem CID3988576
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-methyl-N-(2-oxochromen-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)16(19)18-14-10-13-4-2-3-5-15(13)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeySQYXRCZZAACTMO-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 4-methyl-N-(2-oxochromen-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-oxochromen-3-yl)benzamide (CID 3988576) is 4-methyl-N-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-oxochromen-3-yl)benzamide is Cc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 4-methyl-N-(2-oxochromen-3-yl)benzamide?
The InChIKey is SQYXRCZZAACTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)16(19)18-14-10-13-4-2-3-5-15(13)21-17(14)20/h2-10H,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(2-oxochromen-3-yl)benzamide?
4-methyl-N-(2-oxochromen-3-yl)benzamide 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 4-methyl-N-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 3988576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).