N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide

C17H14Cl3F3N4O — CID 3772899

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H14Cl3F3N4O/c18-10-1-2-14(11(7-10)17(21,22)23)25-16(28)27-5-3-26(4-6-27)15-12(19)8-24-9-13(15)20/h1-2,7-9H,3-6H2,(H,25,28)
InChIKeyCPNOZAIKLJVGFG-UHFFFAOYSA-N
MW453.68 g/mol
LogP5.41
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide (PubChem CID 3772899) has the molecular formula C17H14Cl3F3N4O and a molecular weight of 453.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide
PubChem CID3772899
Molecular FormulaC17H14Cl3F3N4O
Molecular Weight453.68 g/mol
Exact Mass452.02
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H14Cl3F3N4O/c18-10-1-2-14(11(7-10)17(21,22)23)25-16(28)27-5-3-26(4-6-27)15-12(19)8-24-9-13(15)20/h1-2,7-9H,3-6H2,(H,25,28)
InChIKeyCPNOZAIKLJVGFG-UHFFFAOYSA-N
XLogP5.41
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.68
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)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-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23827340
4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 23856810
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105019
N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173
N-(4-chloro-2-methylphenyl)-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbothioamide
CID 3567207
4-(3,5-dichloro-4-pyridinyl)-N-(3-fluoro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 118326998
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944475
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959633
1-[[5-chloro-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093315

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide (CID 3772899) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide?
The InChIKey is CPNOZAIKLJVGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3F3N4O/c18-10-1-2-14(11(7-10)17(21,22)23)25-16(28)27-5-3-26(4-6-27)15-12(19)8-24-9-13(15)20/h1-2,7-9H,3-6H2,(H,25,28).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide has a molecular weight of 453.68 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 3772899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).