4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C13H15ClFN3O2 — CID 61177799

IUPAC4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3O2/c14-9-1-2-10(11(15)7-9)13(20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,20)
InChIKeyCQSMSMFNBOFYOP-UHFFFAOYSA-N
MW299.73 g/mol
LogP0.64
Rot. Bonds3

About 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 61177799) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID61177799
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3O2/c14-9-1-2-10(11(15)7-9)13(20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,20)
InChIKeyCQSMSMFNBOFYOP-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide 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

2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736847
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 104639214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 61177799) is 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCNCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is CQSMSMFNBOFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c14-9-1-2-10(11(15)7-9)13(20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,20).
What are the key properties of 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 299.73 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 61177799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).