N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide

C12H13ClF2N2O — CID 83087927

IUPACN-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)C1CCCCN1
InChIInChI=1S/C12H13ClF2N2O/c13-8-5-7(14)6-9(15)11(8)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)
InChIKeyABRJEBALJOGYBL-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.70
Rot. Bonds2

About N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide

N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide (PubChem CID 83087927) has the molecular formula C12H13ClF2N2O and a molecular weight of 274.70 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
PubChem CID83087927
Molecular FormulaC12H13ClF2N2O
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC NameN-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)C1CCCCN1
InChIInChI=1S/C12H13ClF2N2O/c13-8-5-7(14)6-9(15)11(8)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)
InChIKeyABRJEBALJOGYBL-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
CID 28993479
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 107365936
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3,4,5-trifluorophenyl)azepane-2-carboxamide
CID 64569548
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide (CID 83087927) is N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide is O=C(Nc1c(F)cc(F)cc1Cl)C1CCCCN1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide?
The InChIKey is ABRJEBALJOGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O/c13-8-5-7(14)6-9(15)11(8)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide?
N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide has a molecular weight of 274.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 83087927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).