1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C20H19ClF4N2O — CID 43921762

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C20H19ClF4N2O/c21-16-7-3-8-17(22)14(16)12-27-10-4-5-13(11-27)19(28)26-18-9-2-1-6-15(18)20(23,24)25/h1-3,6-9,13H,4-5,10-12H2,(H,26,28)
InChIKeyGNZUJKCJDPYGIV-UHFFFAOYSA-N
MW414.83 g/mol
LogP5.35
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 43921762) has the molecular formula C20H19ClF4N2O and a molecular weight of 414.83 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID43921762
Molecular FormulaC20H19ClF4N2O
Molecular Weight414.83 g/mol
Exact Mass414.11
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C20H19ClF4N2O/c21-16-7-3-8-17(22)14(16)12-27-10-4-5-13(11-27)19(28)26-18-9-2-1-6-15(18)20(23,24)25/h1-3,6-9,13H,4-5,10-12H2,(H,26,28)
InChIKeyGNZUJKCJDPYGIV-UHFFFAOYSA-N
XLogP5.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.83
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920134
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923934
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
methyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43920291
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 43921762) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GNZUJKCJDPYGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N2O/c21-16-7-3-8-17(22)14(16)12-27-10-4-5-13(11-27)19(28)26-18-9-2-1-6-15(18)20(23,24)25/h1-3,6-9,13H,4-5,10-12H2,(H,26,28).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 414.83 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).