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

C19H18F4N2O — CID 57326390

IUPACN-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F4N2O/c20-15-8-10-16(11-9-15)24-18(26)25-12-2-1-3-17(25)13-4-6-14(7-5-13)19(21,22)23/h4-11,17H,1-3,12H2,(H,24,26)
InChIKeyPHQKXHNOXDJQAV-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.60
Rot. Bonds2

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

N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 57326390) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID57326390
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC NameN-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F4N2O/c20-15-8-10-16(11-9-15)24-18(26)25-12-2-1-3-17(25)13-4-6-14(7-5-13)19(21,22)23/h4-11,17H,1-3,12H2,(H,24,26)
InChIKeyPHQKXHNOXDJQAV-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

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1,1-Dibenzyl-3-(M-tolyl)urea
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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
3-[4-(3,5-Difluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10273848
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 57326390) is N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is PHQKXHNOXDJQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c20-15-8-10-16(11-9-15)24-18(26)25-12-2-1-3-17(25)13-4-6-14(7-5-13)19(21,22)23/h4-11,17H,1-3,12H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-(4-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 N-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 57326390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).