2-oxo-N-phenyl-3H-azepine-1-carboxamide

C13H12N2O2 — CID 142847523

IUPAC2-oxo-N-phenyl-3H-azepine-1-carboxamide
SMILESO=C1CC=CC=CN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O2/c16-12-9-5-2-6-10-15(12)13(17)14-11-7-3-1-4-8-11/h1-8,10H,9H2,(H,14,17)
InChIKeyOGVHZLWVSJOMQG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.52
Rot. Bonds1

About 2-oxo-N-phenyl-3H-azepine-1-carboxamide

2-oxo-N-phenyl-3H-azepine-1-carboxamide (PubChem CID 142847523) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-oxo-N-phenyl-3H-azepine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-3H-azepine-1-carboxamide
PubChem CID142847523
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-oxo-N-phenyl-3H-azepine-1-carboxamide
SMILESO=C1CC=CC=CN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O2/c16-12-9-5-2-6-10-15(12)13(17)14-11-7-3-1-4-8-11/h1-8,10H,9H2,(H,14,17)
InChIKeyOGVHZLWVSJOMQG-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-3H-azepine-1-carboxamide?
The IUPAC name of 2-oxo-N-phenyl-3H-azepine-1-carboxamide (CID 142847523) is 2-oxo-N-phenyl-3H-azepine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyl-3H-azepine-1-carboxamide?
The canonical SMILES for 2-oxo-N-phenyl-3H-azepine-1-carboxamide is O=C1CC=CC=CN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-oxo-N-phenyl-3H-azepine-1-carboxamide?
The InChIKey is OGVHZLWVSJOMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-9-5-2-6-10-15(12)13(17)14-11-7-3-1-4-8-11/h1-8,10H,9H2,(H,14,17).
What are the key properties of 2-oxo-N-phenyl-3H-azepine-1-carboxamide?
2-oxo-N-phenyl-3H-azepine-1-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-3H-azepine-1-carboxamide is sourced from PubChem (CID 142847523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).