3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide

C21H21Cl2F3N2O — CID 25129498

IUPAC3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H21Cl2F3N2O/c22-18-9-16(10-19(23)11-18)20(29)27-12-14-4-6-28(7-5-14)13-15-2-1-3-17(8-15)21(24,25)26/h1-3,8-11,14H,4-7,12-13H2,(H,27,29)
InChIKeyNWKDHMOLGIJQDW-UHFFFAOYSA-N
MW445.31 g/mol
LogP5.65
Rot. Bonds5

About 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 25129498) has the molecular formula C21H21Cl2F3N2O and a molecular weight of 445.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide
PubChem CID25129498
Molecular FormulaC21H21Cl2F3N2O
Molecular Weight445.31 g/mol
Exact Mass444.10
IUPAC Name3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H21Cl2F3N2O/c22-18-9-16(10-19(23)11-18)20(29)27-12-14-4-6-28(7-5-14)13-15-2-1-3-17(8-15)21(24,25)26/h1-3,8-11,14H,4-7,12-13H2,(H,27,29)
InChIKeyNWKDHMOLGIJQDW-UHFFFAOYSA-N
XLogP5.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide 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

Ssr-504734
CID 9954540
3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 45115620
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
Ssr-103800
CID 53316381
1-(3-Chlorobenzoyl)piperazine
CID 1074765
N-methyl-SSR504734
CID 11704260
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide (CID 25129498) is 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is NWKDHMOLGIJQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F3N2O/c22-18-9-16(10-19(23)11-18)20(29)27-12-14-4-6-28(7-5-14)13-15-2-1-3-17(8-15)21(24,25)26/h1-3,8-11,14H,4-7,12-13H2,(H,27,29).
What are the key properties of 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 445.31 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 25129498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).