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

C19H18ClF3N2O — CID 44765735

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H18ClF3N2O/c20-17-7-6-15(12-16(17)19(21,22)23)24-18(26)25-10-8-14(9-11-25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,24,26)
InChIKeyXCKGDYCIOHMUMH-UHFFFAOYSA-N
MW382.81 g/mol
LogP5.77
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 44765735) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide
PubChem CID44765735
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H18ClF3N2O/c20-17-7-6-15(12-16(17)19(21,22)23)24-18(26)25-10-8-14(9-11-25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,24,26)
InChIKeyXCKGDYCIOHMUMH-UHFFFAOYSA-N
XLogP5.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.81
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Halocarban
CID 9719
N-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 594820
Flucofuron
CID 67788
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4532427
8-Isoquinolinecarboxamide,N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4,4a,7,8,8a-octahydro-1-oxo-2-(phenylmethyl)-,(4aR,8S,,8aR)-
CID 45256309
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[[4-[4-(3-cyanophenyl)phenyl]-1-methylpiperidin-4-yl]methyl]urea
CID 10186594
1-(4-Chlorophenyl)-3-phenethylurea
CID 482058
N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 846926
4-(3,4-Dichlorophenyl)-N-[4-(propan-2-YL)phenyl]piperazine-1-carboxamide
CID 3869471
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
ST51035134
CID 3436734
1-(4-Chloro-phenyl)-3-(3,3-diphenyl-allyl)-urea
CID 44265973

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide (CID 44765735) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is XCKGDYCIOHMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c20-17-7-6-15(12-16(17)19(21,22)23)24-18(26)25-10-8-14(9-11-25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,24,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 5.77, 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-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 44765735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).