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

C20H17BrClF3N2O2 — CID 1315349

IUPAC1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H17BrClF3N2O2/c21-14-3-1-13(2-4-14)19(29)27-9-7-12(8-10-27)18(28)26-15-5-6-17(22)16(11-15)20(23,24)25/h1-6,11-12H,7-10H2,(H,26,28)
InChIKeyPTYHHILIVYURLH-UHFFFAOYSA-N
MW489.72 g/mol
LogP5.61
Rot. Bonds3

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

1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 1315349) has the molecular formula C20H17BrClF3N2O2 and a molecular weight of 489.72 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID1315349
Molecular FormulaC20H17BrClF3N2O2
Molecular Weight489.72 g/mol
Exact Mass488.01
IUPAC Name1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H17BrClF3N2O2/c21-14-3-1-13(2-4-14)19(29)27-9-7-12(8-10-27)18(28)26-15-5-6-17(22)16(11-15)20(23,24)25/h1-6,11-12H,7-10H2,(H,26,28)
InChIKeyPTYHHILIVYURLH-UHFFFAOYSA-N
XLogP5.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.72
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-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-(4-(3-aminocarbonyl-phenyl)-piperazin-1-yl)-butyl)-4-bromo-benzamide
CID 16066765
4-bromo-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4565122
N-(4-bromo-3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548369
1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 72694238
1-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 72703640
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 129626129
N-[2-(4-acetyl-1-piperazinyl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2197490
4-bromo-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 25162080
N-[4-[4-(4-bromophenyl)piperidin-1-yl]butyl]-4-[(4-chlorobenzoyl)amino]benzamide
CID 44532394
4-bromo-N-[3-[[4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44536862
3-[[(Z)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobut-2-enoyl]amino]benzamide
CID 137632525

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 1315349) is 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PTYHHILIVYURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClF3N2O2/c21-14-3-1-13(2-4-14)19(29)27-9-7-12(8-10-27)18(28)26-15-5-6-17(22)16(11-15)20(23,24)25/h1-6,11-12H,7-10H2,(H,26,28).
What are the key properties of 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 489.72 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 1315349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).