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

C13H18Cl2FN3O — CID 119445404

IUPAC4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN3O.ClH/c14-10-1-2-11(12(15)9-10)13(19)17-5-8-18-6-3-16-4-7-18;/h1-2,9,16H,3-8H2,(H,17,19);1H
InChIKeyBRXVYCYNVCODAB-UHFFFAOYSA-N
MW322.21 g/mol
LogP1.54
Rot. Bonds4

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

4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119445404) has the molecular formula C13H18Cl2FN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119445404
Molecular FormulaC13H18Cl2FN3O
Molecular Weight322.21 g/mol
Exact Mass321.08
IUPAC Name4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN3O.ClH/c14-10-1-2-11(12(15)9-10)13(19)17-5-8-18-6-3-16-4-7-18;/h1-2,9,16H,3-8H2,(H,17,19);1H
InChIKeyBRXVYCYNVCODAB-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445288
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119445404) is 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is BRXVYCYNVCODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O.ClH/c14-10-1-2-11(12(15)9-10)13(19)17-5-8-18-6-3-16-4-7-18;/h1-2,9,16H,3-8H2,(H,17,19);1H.
What are the key properties of 4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 322.21 g/mol, XLogP of 1.54, 4 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-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119445404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).