N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide

C14H17ClN2O2 — CID 110196336

IUPACN-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)c2)CCCCC(=O)N1
InChIInChI=1S/C14H17ClN2O2/c1-14(8-3-2-7-12(18)17-14)13(19)16-11-6-4-5-10(15)9-11/h4-6,9H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyIAOLXDKIDLGXJX-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.73
Rot. Bonds2

About N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide

N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196336) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196336
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)c2)CCCCC(=O)N1
InChIInChI=1S/C14H17ClN2O2/c1-14(8-3-2-7-12(18)17-14)13(19)16-11-6-4-5-10(15)9-11/h4-6,9H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyIAOLXDKIDLGXJX-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide (CID 110196336) is N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide is CC1(C(=O)Nc2cccc(Cl)c2)CCCCC(=O)N1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is IAOLXDKIDLGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(8-3-2-7-12(18)17-14)13(19)16-11-6-4-5-10(15)9-11/h4-6,9H,2-3,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).