N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide

C14H16ClF3N2O — CID 106738599

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCN1
InChIInChI=1S/C14H16ClF3N2O/c1-8-6-9(4-5-19-8)13(21)20-12-7-10(14(16,17)18)2-3-11(12)15/h2-3,7-9,19H,4-6H2,1H3,(H,20,21)
InChIKeyJAUHSYVMCBPBBC-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.69
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106738599) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID106738599
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCN1
InChIInChI=1S/C14H16ClF3N2O/c1-8-6-9(4-5-19-8)13(21)20-12-7-10(14(16,17)18)2-3-11(12)15/h2-3,7-9,19H,4-6H2,1H3,(H,20,21)
InChIKeyJAUHSYVMCBPBBC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 120639496
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine-1-carboxamide
CID 165430437
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165430440
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43120795
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide
CID 120628461
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106740207
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide (CID 106738599) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCN1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is JAUHSYVMCBPBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-8-6-9(4-5-19-8)13(21)20-12-7-10(14(16,17)18)2-3-11(12)15/h2-3,7-9,19H,4-6H2,1H3,(H,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 3.69, 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-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).