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

C13H15ClF2N2O — CID 106740543

IUPACN-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2c(F)cc(F)cc2Cl)CCN1
InChIInChI=1S/C13H15ClF2N2O/c1-7-4-8(2-3-17-7)13(19)18-12-10(14)5-9(15)6-11(12)16/h5-8,17H,2-4H2,1H3,(H,18,19)
InChIKeyVVMKCGVRTYPFRH-UHFFFAOYSA-N
MW288.72 g/mol
LogP2.94
Rot. Bonds2

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

N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106740543) has the molecular formula C13H15ClF2N2O and a molecular weight of 288.72 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106740543
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.72 g/mol
Exact Mass288.08
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2c(F)cc(F)cc2Cl)CCN1
InChIInChI=1S/C13H15ClF2N2O/c1-7-4-8(2-3-17-7)13(19)18-12-10(14)5-9(15)6-11(12)16/h5-8,17H,2-4H2,1H3,(H,18,19)
InChIKeyVVMKCGVRTYPFRH-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)-4-methylpiperidine-2-carboxamide
CID 114424428
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
CID 83087927
N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738532
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 107599839
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146124256

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide (CID 106740543) is N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2c(F)cc(F)cc2Cl)CCN1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is VVMKCGVRTYPFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c1-7-4-8(2-3-17-7)13(19)18-12-10(14)5-9(15)6-11(12)16/h5-8,17H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-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)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).