4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H16F4N4O — CID 74229078

IUPAC4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2c(F)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H16F4N4O/c20-15-6-3-5-14(19(21,22)23)17(15)25-18(28)27-10-8-26(9-11-27)16-7-2-1-4-13(16)12-24/h1-7H,8-11H2,(H,25,28)
InChIKeyATXWPIKURKUPDN-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.07
Rot. Bonds2

About 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 74229078) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID74229078
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2c(F)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H16F4N4O/c20-15-6-3-5-14(19(21,22)23)17(15)25-18(28)27-10-8-26(9-11-27)16-7-2-1-4-13(16)12-24/h1-7H,8-11H2,(H,25,28)
InChIKeyATXWPIKURKUPDN-UHFFFAOYSA-N
XLogP4.07
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyanophenyl)-N-[2-fluoro-6-(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

N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
4-(2-cyanophenyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 3818405
2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080843
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
CID 3815113
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 74229078) is 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide is N#Cc1ccccc1N1CCN(C(=O)Nc2c(F)cccc2C(F)(F)F)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ATXWPIKURKUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c20-15-6-3-5-14(19(21,22)23)17(15)25-18(28)27-10-8-26(9-11-27)16-7-2-1-4-13(16)12-24/h1-7H,8-11H2,(H,25,28).
What are the key properties of 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 74229078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).