N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide

C13H16ClFN2O — CID 107365880

IUPACN-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H16ClFN2O/c1-8-3-2-4-16-12(8)13(18)17-11-6-9(14)5-10(15)7-11/h5-8,12,16H,2-4H2,1H3,(H,17,18)
InChIKeyBLAULJIWQKWXNL-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.81
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide

N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107365880) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107365880
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H16ClFN2O/c1-8-3-2-4-16-12(8)13(18)17-11-6-9(14)5-10(15)7-11/h5-8,12,16H,2-4H2,1H3,(H,17,18)
InChIKeyBLAULJIWQKWXNL-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-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

(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 107365936
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide (CID 107365880) is N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is BLAULJIWQKWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-3-2-4-16-12(8)13(18)17-11-6-9(14)5-10(15)7-11/h5-8,12,16H,2-4H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide?
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107365880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).