2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide

C21H20Cl2F4N2O2 — CID 54130706

IUPAC2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C21H20Cl2F4N2O2/c22-17-4-1-13(11-16(17)21(25,26)27)20(31)5-8-29(9-6-20)10-7-28-19(30)15-3-2-14(24)12-18(15)23/h1-4,11-12,31H,5-10H2,(H,28,30)
InChIKeyNUDTYGZSWJPUOY-UHFFFAOYSA-N
MW479.30 g/mol
LogP4.86
Rot. Bonds5

About 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide

2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 54130706) has the molecular formula C21H20Cl2F4N2O2 and a molecular weight of 479.30 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID54130706
Molecular FormulaC21H20Cl2F4N2O2
Molecular Weight479.30 g/mol
Exact Mass478.08
IUPAC Name2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C21H20Cl2F4N2O2/c22-17-4-1-13(11-16(17)21(25,26)27)20(31)5-8-29(9-6-20)10-7-28-19(30)15-3-2-14(24)12-18(15)23/h1-4,11-12,31H,5-10H2,(H,28,30)
InChIKeyNUDTYGZSWJPUOY-UHFFFAOYSA-N
XLogP4.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.30
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide 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

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
acetic acid;1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 131885739
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
CID 11716504
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]propanenitrile
CID 164667372
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-ol;hydrochloride
CID 13207832
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-fluorophenyl)-4-hydroxybut-2-ynyl]piperidin-4-ol
CID 21449416
2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
CID 42273465
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
CID 16672673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide (CID 54130706) is 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is NUDTYGZSWJPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F4N2O2/c22-17-4-1-13(11-16(17)21(25,26)27)20(31)5-8-29(9-6-20)10-7-28-19(30)15-3-2-14(24)12-18(15)23/h1-4,11-12,31H,5-10H2,(H,28,30).
What are the key properties of 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide?
2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 479.30 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 54130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).