N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H16F5N3O — CID 1329053

IUPACN-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16F5N3O/c19-13-4-5-16(15(20)11-13)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)
InChIKeyUWNVOIBRBJDHLX-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.34
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1329053) has the molecular formula C18H16F5N3O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1329053
Molecular FormulaC18H16F5N3O
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC NameN-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16F5N3O/c19-13-4-5-16(15(20)11-13)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)
InChIKeyUWNVOIBRBJDHLX-UHFFFAOYSA-N
XLogP4.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-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

4-[3,5-bis(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 42705399
N-(2,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 50875751
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(2-methyl-1-oxoisoquinolin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 20910199
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4600175

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1329053) is N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is UWNVOIBRBJDHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N3O/c19-13-4-5-16(15(20)11-13)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1329053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).