2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride

C13H16Cl2FN3O2 — CID 119307920

IUPAC2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H15ClFN3O2.ClH/c14-9-2-1-3-10(15)12(9)13(20)18-6-4-17(5-7-18)11(19)8-16;/h1-3H,4-8,16H2;1H
InChIKeyUPHFVSPMCOXMKX-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.14
Rot. Bonds2

About 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride

2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119307920) has the molecular formula C13H16Cl2FN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119307920
Molecular FormulaC13H16Cl2FN3O2
Molecular Weight336.19 g/mol
Exact Mass335.06
IUPAC Name2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H15ClFN3O2.ClH/c14-9-2-1-3-10(15)12(9)13(20)18-6-4-17(5-7-18)11(19)8-16;/h1-3H,4-8,16H2;1H
InChIKeyUPHFVSPMCOXMKX-UHFFFAOYSA-N
XLogP1.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride 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

3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110818429
prop-2-enyl 4-(2-chloro-6-fluorobenzoyl)piperazine-1-carboxylate
CID 108570283
4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
CID 119300386
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
(2S)-2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119756666
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110365555
(2S)-2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119307923
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride (CID 119307920) is 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is UPHFVSPMCOXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2.ClH/c14-9-2-1-3-10(15)12(9)13(20)18-6-4-17(5-7-18)11(19)8-16;/h1-3H,4-8,16H2;1H.
What are the key properties of 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride?
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 336.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119307920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).