N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide

C14H16ClF3N2O — CID 107067123

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c1-8-3-2-6-19-12(8)13(21)20-11-5-4-9(15)7-10(11)14(16,17)18/h4-5,7-8,12,19H,2-3,6H2,1H3,(H,20,21)
InChIKeyPGJKTCRUXSNTJW-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.69
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067123) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067123
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c1-8-3-2-6-19-12(8)13(21)20-11-5-4-9(15)7-10(11)14(16,17)18/h4-5,7-8,12,19H,2-3,6H2,1H3,(H,20,21)
InChIKeyPGJKTCRUXSNTJW-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

N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
4-chloro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067888
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067256

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide (CID 107067123) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is PGJKTCRUXSNTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-8-3-2-6-19-12(8)13(21)20-11-5-4-9(15)7-10(11)14(16,17)18/h4-5,7-8,12,19H,2-3,6H2,1H3,(H,20,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-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-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).