N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C19H18F4N2O — CID 146095182

IUPACN-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N2O/c20-15-7-9-16(10-8-15)24-18(26)25-11-2-1-6-17(25)13-4-3-5-14(12-13)19(21,22)23/h3-5,7-10,12,17H,1-2,6,11H2,(H,24,26)
InChIKeyDXNNWIORPIUTKY-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.60
Rot. Bonds2

About N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 146095182) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID146095182
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC NameN-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N2O/c20-15-7-9-16(10-8-15)24-18(26)25-11-2-1-6-17(25)13-4-3-5-14(12-13)19(21,22)23/h3-5,7-10,12,17H,1-2,6,11H2,(H,24,26)
InChIKeyDXNNWIORPIUTKY-UHFFFAOYSA-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

N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 52516414
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
3-[(2R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-2-yl]benzoic acid
CID 66653144
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 146095182) is N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCCCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DXNNWIORPIUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c20-15-7-9-16(10-8-15)24-18(26)25-11-2-1-6-17(25)13-4-3-5-14(12-13)19(21,22)23/h3-5,7-10,12,17H,1-2,6,11H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-2-[3-(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 N-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 146095182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).