(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C19H18F4N2O — CID 52516414

IUPAC(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F4N2O/c20-15-5-1-2-6-16(15)24-18(26)25-12-4-3-7-17(25)13-8-10-14(11-9-13)19(21,22)23/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,24,26)/t17-/m1/s1
InChIKeyJOLNDSCESPSCDW-QGZVFWFLSA-N
MW366.36 g/mol
LogP5.60
Rot. Bonds2

About (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 52516414) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID52516414
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F4N2O/c20-15-5-1-2-6-16(15)24-18(26)25-12-4-3-7-17(25)13-8-10-14(11-9-13)19(21,22)23/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,24,26)/t17-/m1/s1
InChIKeyJOLNDSCESPSCDW-QGZVFWFLSA-N
XLogP5.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 146095182
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 52516414) is (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is JOLNDSCESPSCDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18F4N2O/c20-15-5-1-2-6-16(15)24-18(26)25-12-4-3-7-17(25)13-8-10-14(11-9-13)19(21,22)23/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 52516414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).