N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide

C14H19ClN2O2 — CID 107621689

IUPACN-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCCCN2)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-13-9-10(6-7-11(13)15)17-14(18)12-5-3-2-4-8-16-12/h6-7,9,12,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyNLKHMFJCTLUJAE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.82
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide

N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide (PubChem CID 107621689) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
PubChem CID107621689
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCCCN2)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-13-9-10(6-7-11(13)15)17-14(18)12-5-3-2-4-8-16-12/h6-7,9,12,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyNLKHMFJCTLUJAE-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-methoxyphenyl)azepane-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

Related Compounds

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide (CID 107621689) is N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide is COc1cc(NC(=O)C2CCCCCN2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide?
The InChIKey is NLKHMFJCTLUJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-9-10(6-7-11(13)15)17-14(18)12-5-3-2-4-8-16-12/h6-7,9,12,16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide?
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide is sourced from PubChem (CID 107621689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).