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

C19H17ClF4N2O — CID 44765736

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClF4N2O/c20-17-6-5-15(11-16(17)19(22,23)24)25-18(27)26-9-7-13(8-10-26)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2,(H,25,27)
InChIKeyMZGUADBQNZHILS-UHFFFAOYSA-N
MW400.80 g/mol
LogP5.91
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 44765736) has the molecular formula C19H17ClF4N2O and a molecular weight of 400.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID44765736
Molecular FormulaC19H17ClF4N2O
Molecular Weight400.80 g/mol
Exact Mass400.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClF4N2O/c20-17-6-5-15(11-16(17)19(22,23)24)25-18(27)26-9-7-13(8-10-26)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2,(H,25,27)
InChIKeyMZGUADBQNZHILS-UHFFFAOYSA-N
XLogP5.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.80
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide (CID 44765736) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is MZGUADBQNZHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N2O/c20-17-6-5-15(11-16(17)19(22,23)24)25-18(27)26-9-7-13(8-10-26)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2,(H,25,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 400.80 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44765736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).