N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide

C13H16ClFN2O — CID 103774779

IUPACN-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCCCCC1
InChIInChI=1S/C13H16ClFN2O/c14-10-7-11(15)9-12(8-10)16-13(18)17-5-3-1-2-4-6-17/h7-9H,1-6H2,(H,16,18)
InChIKeyUYNYCBRLXSEDQF-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.89
Rot. Bonds1

About N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide

N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide (PubChem CID 103774779) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
PubChem CID103774779
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCCCCC1
InChIInChI=1S/C13H16ClFN2O/c14-10-7-11(15)9-12(8-10)16-13(18)17-5-3-1-2-4-6-17/h7-9H,1-6H2,(H,16,18)
InChIKeyUYNYCBRLXSEDQF-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chloro-5-fluorophenyl)azepane-1-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-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107368637
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072136
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072100
N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
CID 84588159
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide (CID 103774779) is N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)N1CCCCCC1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide?
The InChIKey is UYNYCBRLXSEDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-10-7-11(15)9-12(8-10)16-13(18)17-5-3-1-2-4-6-17/h7-9H,1-6H2,(H,16,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide?
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide is sourced from PubChem (CID 103774779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).