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

C13H17ClFN3O — CID 43600269

IUPAC2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN3O/c14-12-9-10(15)1-2-11(12)13(19)17-5-8-18-6-3-16-4-7-18/h1-2,9,16H,3-8H2,(H,17,19)
InChIKeyKJBLIDBIIAMRAR-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.11
Rot. Bonds4

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

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 43600269) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID43600269
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN3O/c14-12-9-10(15)1-2-11(12)13(19)17-5-8-18-6-3-16-4-7-18/h1-2,9,16H,3-8H2,(H,17,19)
InChIKeyKJBLIDBIIAMRAR-UHFFFAOYSA-N
XLogP1.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105318
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 54130706
2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
CID 42273465
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide (CID 43600269) is 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is KJBLIDBIIAMRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c14-12-9-10(15)1-2-11(12)13(19)17-5-8-18-6-3-16-4-7-18/h1-2,9,16H,3-8H2,(H,17,19).
What are the key properties of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide?
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 285.75 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 43600269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).