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

C24H18N2O4 — CID 2021610

IUPACN-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1
InChIInChI=1S/C24H18N2O4/c1-15(27)25-19-9-11-20(12-10-19)26-23(28)18-7-4-6-16(13-18)21-14-17-5-2-3-8-22(17)30-24(21)29/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyUKMZYAJJKQWFER-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.67
Rot. Bonds4

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

N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 2021610) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID2021610
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1
InChIInChI=1S/C24H18N2O4/c1-15(27)25-19-9-11-20(12-10-19)26-23(28)18-7-4-6-16(13-18)21-14-17-5-2-3-8-22(17)30-24(21)29/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyUKMZYAJJKQWFER-UHFFFAOYSA-N
XLogP4.67
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.67
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-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide (CID 2021610) is N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide is CC(=O)Nc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is UKMZYAJJKQWFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-15(27)25-19-9-11-20(12-10-19)26-23(28)18-7-4-6-16(13-18)21-14-17-5-2-3-8-22(17)30-24(21)29/h2-14H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide?
N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 398.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 2021610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).