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

C13H15ClF2N2O — CID 104597189

IUPACN-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2c(F)cc(F)cc2Cl)CCCCN1
InChIInChI=1S/C13H15ClF2N2O/c1-13(4-2-3-5-17-13)12(19)18-11-9(14)6-8(15)7-10(11)16/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyDCHMDMIDZUMSBO-UHFFFAOYSA-N
MW288.72 g/mol
LogP3.09
Rot. Bonds2

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

N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104597189) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
PubChem CID104597189
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.72 g/mol
Exact Mass288.08
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2c(F)cc(F)cc2Cl)CCCCN1
InChIInChI=1S/C13H15ClF2N2O/c1-13(4-2-3-5-17-13)12(19)18-11-9(14)6-8(15)7-10(11)16/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyDCHMDMIDZUMSBO-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 83088271
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 83087352
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(4-fluoro-2-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 104596685
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 104597094
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide (CID 104597189) is N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)Nc2c(F)cc(F)cc2Cl)CCCCN1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is DCHMDMIDZUMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c1-13(4-2-3-5-17-13)12(19)18-11-9(14)6-8(15)7-10(11)16/h6-7,17H,2-5H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 288.72 g/mol, XLogP of 3.09, 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-2-carboxamide is sourced from PubChem (CID 104597189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).