[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H20ClFN2O — CID 51292018

IUPAC[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-16(19)17-13-18(17)20(25)24-11-9-23(10-12-24)15-7-5-14(22)6-8-15/h1-8,17-18H,9-13H2
InChIKeyUKQDECCZCZQGPR-UHFFFAOYSA-N
MW358.84 g/mol
LogP3.93
Rot. Bonds3

About [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 51292018) has the molecular formula C20H20ClFN2O and a molecular weight of 358.84 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID51292018
Molecular FormulaC20H20ClFN2O
Molecular Weight358.84 g/mol
Exact Mass358.12
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-16(19)17-13-18(17)20(25)24-11-9-23(10-12-24)15-7-5-14(22)6-8-15/h1-8,17-18H,9-13H2
InChIKeyUKQDECCZCZQGPR-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 51292018) is [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CC1c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is UKQDECCZCZQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-16(19)17-13-18(17)20(25)24-11-9-23(10-12-24)15-7-5-14(22)6-8-15/h1-8,17-18H,9-13H2.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 358.84 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51292018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).