4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one

C20H18ClF3N2O2 — CID 25271480

IUPAC4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one
SMILESCC(c1ccccc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIInChI=1S/C20H18ClF3N2O2/c1-13(14-6-3-2-4-7-14)26-11-10-25(12-17(26)27)19(28)15-8-5-9-16(18(15)21)20(22,23)24/h2-9,13H,10-12H2,1H3
InChIKeyWJZSCVDXZGQPBK-UHFFFAOYSA-N
MW410.82 g/mol
LogP4.40
Rot. Bonds3

About 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one

4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one (PubChem CID 25271480) has the molecular formula C20H18ClF3N2O2 and a molecular weight of 410.82 g/mol. Its IUPAC name is 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one
PubChem CID25271480
Molecular FormulaC20H18ClF3N2O2
Molecular Weight410.82 g/mol
Exact Mass410.10
IUPAC Name4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one
SMILESCC(c1ccccc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIInChI=1S/C20H18ClF3N2O2/c1-13(14-6-3-2-4-7-14)26-11-10-25(12-17(26)27)19(28)15-8-5-9-16(18(15)21)20(22,23)24/h2-9,13H,10-12H2,1H3
InChIKeyWJZSCVDXZGQPBK-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one 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-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(4-fluoro-2-propan-2-yloxyphenyl)piperazin-2-one
CID 25270121
4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(oxolan-2-ylmethyl)piperazin-2-one
CID 25270801
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562
[2-chloro-3-(trifluoromethyl)phenyl]-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 152793936
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyrrolidin-1-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599718
(4-anilino-5-hydrazinyl-3,6-dihydro-2H-pyridin-1-yl)-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129152906
[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 129153076
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
3-[[4-fluoro-3-[3-oxo-4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]phenyl]methyl]-4,5-dimethyl-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
CID 171923553

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one?
The IUPAC name of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one (CID 25271480) is 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one is CC(c1ccccc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O.
What is the InChIKey of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one?
The InChIKey is WJZSCVDXZGQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O2/c1-13(14-6-3-2-4-7-14)26-11-10-25(12-17(26)27)19(28)15-8-5-9-16(18(15)21)20(22,23)24/h2-9,13H,10-12H2,1H3.
What are the key properties of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one?
4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one has a molecular weight of 410.82 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one is sourced from PubChem (CID 25271480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).