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

C20H19BrClF3N2O — CID 43922182

IUPAC1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H19BrClF3N2O/c21-15-5-3-13(4-6-15)11-27-9-1-2-14(12-27)19(28)26-16-7-8-18(22)17(10-16)20(23,24)25/h3-8,10,14H,1-2,9,11-12H2,(H,26,28)
InChIKeyWETALLKSZDVKAB-UHFFFAOYSA-N
MW475.74 g/mol
LogP5.97
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 43922182) has the molecular formula C20H19BrClF3N2O and a molecular weight of 475.74 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID43922182
Molecular FormulaC20H19BrClF3N2O
Molecular Weight475.74 g/mol
Exact Mass474.03
IUPAC Name1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H19BrClF3N2O/c21-15-5-3-13(4-6-15)11-27-9-1-2-14(12-27)19(28)26-16-7-8-18(22)17(10-16)20(23,24)25/h3-8,10,14H,1-2,9,11-12H2,(H,26,28)
InChIKeyWETALLKSZDVKAB-UHFFFAOYSA-N
XLogP5.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.74
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-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

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43922172
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
1-benzylsulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 50808749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 43922182) is 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is WETALLKSZDVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClF3N2O/c21-15-5-3-13(4-6-15)11-27-9-1-2-14(12-27)19(28)26-16-7-8-18(22)17(10-16)20(23,24)25/h3-8,10,14H,1-2,9,11-12H2,(H,26,28).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 475.74 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43922182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).