N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide

C15H15F7N2O — CID 167460363

IUPACN-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N(CC(F)F)C1CCNC(c2cc(F)ccc2F)C1)C(F)(F)F
InChIInChI=1S/C15H15F7N2O/c16-8-1-2-11(17)10(5-8)12-6-9(3-4-23-12)24(7-13(18)19)14(25)15(20,21)22/h1-2,5,9,12-13,23H,3-4,6-7H2
InChIKeyUOPFRLHSYHFBJI-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.41
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide

N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 167460363) has the molecular formula C15H15F7N2O and a molecular weight of 372.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID167460363
Molecular FormulaC15H15F7N2O
Molecular Weight372.28 g/mol
Exact Mass372.11
IUPAC NameN-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N(CC(F)F)C1CCNC(c2cc(F)ccc2F)C1)C(F)(F)F
InChIInChI=1S/C15H15F7N2O/c16-8-1-2-11(17)10(5-8)12-6-9(3-4-23-12)24(7-13(18)19)14(25)15(20,21)22/h1-2,5,9,12-13,23H,3-4,6-7H2
InChIKeyUOPFRLHSYHFBJI-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide 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-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 165142001
tert-butyl N-[(2S,4R)-2-(2,5-difluorophenyl)piperidin-4-yl]-N-methylcarbamate
CID 176681562
(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine
CID 165141945
N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide
CID 165141798
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 165142036
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
3-(2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 175494190
CID 174947937
CID 174947937
2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 167460247
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 167460363) is N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide is O=C(N(CC(F)F)C1CCNC(c2cc(F)ccc2F)C1)C(F)(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UOPFRLHSYHFBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F7N2O/c16-8-1-2-11(17)10(5-8)12-6-9(3-4-23-12)24(7-13(18)19)14(25)15(20,21)22/h1-2,5,9,12-13,23H,3-4,6-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 372.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167460363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).