(2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone

C17H16ClFN2O — CID 2598403

IUPAC(2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-7-4-8-15(19)16(14)17(22)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyWIIIBAKINWPYKZ-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.44
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2598403) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2598403
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name(2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-7-4-8-15(19)16(14)17(22)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyWIIIBAKINWPYKZ-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-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-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 2598403) is (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WIIIBAKINWPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-7-4-8-15(19)16(14)17(22)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 318.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2598403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).