N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide

C13H16ClFN2O — CID 63121680

IUPACN-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C13H16ClFN2O/c1-13(4-6-16-7-5-13)12(18)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H,17,18)
InChIKeyINJAFHGMNHRAQB-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.81
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63121680) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
PubChem CID63121680
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C13H16ClFN2O/c1-13(4-6-16-7-5-13)12(18)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H,17,18)
InChIKeyINJAFHGMNHRAQB-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 170264995
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
CID 87344821
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide (CID 63121680) is N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccc(Cl)cc2F)CCNCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is INJAFHGMNHRAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-13(4-6-16-7-5-13)12(18)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).