N-(2-oxoazepan-3-yl)benzamide

C13H16N2O2 — CID 2813197

IUPACN-(2-oxoazepan-3-yl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H,15,16)
InChIKeyNQLUCFFZHYMBHT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.09
Rot. Bonds2

About N-(2-oxoazepan-3-yl)benzamide

N-(2-oxoazepan-3-yl)benzamide (PubChem CID 2813197) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)benzamide
PubChem CID2813197
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-oxoazepan-3-yl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H,15,16)
InChIKeyNQLUCFFZHYMBHT-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of N-(2-oxoazepan-3-yl)benzamide (CID 2813197) is N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)benzamide is O=C(NC1CCCCNC1=O)c1ccccc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is NQLUCFFZHYMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-oxoazepan-3-yl)benzamide?
N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 232.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 2813197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).