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

C13H16ClFN2O — CID 107528549

IUPACN-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2cc(F)ccc2Cl)CCCCN1
InChIInChI=1S/C13H16ClFN2O/c1-13(6-2-3-7-16-13)12(18)17-11-8-9(15)4-5-10(11)14/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyGLMURIZRTZUMHM-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.95
Rot. Bonds2

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

N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 107528549) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
PubChem CID107528549
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2cc(F)ccc2Cl)CCCCN1
InChIInChI=1S/C13H16ClFN2O/c1-13(6-2-3-7-16-13)12(18)17-11-8-9(15)4-5-10(11)14/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyGLMURIZRTZUMHM-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide
CID 172895694

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide (CID 107528549) is N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)Nc2cc(F)ccc2Cl)CCCCN1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is GLMURIZRTZUMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-13(6-2-3-7-16-13)12(18)17-11-8-9(15)4-5-10(11)14/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide?
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107528549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).