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

C13H15ClF2N2O — CID 114424428

IUPACN-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2c(F)cc(F)cc2Cl)C1
InChIInChI=1S/C13H15ClF2N2O/c1-7-2-3-17-11(4-7)13(19)18-12-9(14)5-8(15)6-10(12)16/h5-7,11,17H,2-4H2,1H3,(H,18,19)
InChIKeyZCTHOVKXQDMORS-UHFFFAOYSA-N
MW288.72 g/mol
LogP2.94
Rot. Bonds2

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

N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114424428) has the molecular formula C13H15ClF2N2O and a molecular weight of 288.72 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
PubChem CID114424428
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.72 g/mol
Exact Mass288.08
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2c(F)cc(F)cc2Cl)C1
InChIInChI=1S/C13H15ClF2N2O/c1-7-2-3-17-11(4-7)13(19)18-12-9(14)5-8(15)6-10(12)16/h5-7,11,17H,2-4H2,1H3,(H,18,19)
InChIKeyZCTHOVKXQDMORS-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
CID 83087927
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107600020
4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
CID 114422755
N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 83079301
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide (CID 114424428) is N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2c(F)cc(F)cc2Cl)C1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is ZCTHOVKXQDMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c1-7-2-3-17-11(4-7)13(19)18-12-9(14)5-8(15)6-10(12)16/h5-7,11,17H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 288.72 g/mol, XLogP of 2.94, 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)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).