5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C15H22ClFN4O2 — CID 119445288

IUPAC5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C15H21FN4O2.ClH/c1-11(21)19-12-2-3-14(16)13(10-12)15(22)18-6-9-20-7-4-17-5-8-20;/h2-3,10,17H,4-9H2,1H3,(H,18,22)(H,19,21);1H
InChIKeyHXKOBPQQYHLXCT-UHFFFAOYSA-N
MW344.82 g/mol
LogP0.84
Rot. Bonds5

About 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119445288) has the molecular formula C15H22ClFN4O2 and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119445288
Molecular FormulaC15H22ClFN4O2
Molecular Weight344.82 g/mol
Exact Mass344.14
IUPAC Name5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C15H21FN4O2.ClH/c1-11(21)19-12-2-3-14(16)13(10-12)15(22)18-6-9-20-7-4-17-5-8-20;/h2-3,10,17H,4-9H2,1H3,(H,18,22)(H,19,21);1H
InChIKeyHXKOBPQQYHLXCT-UHFFFAOYSA-N
XLogP0.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
N-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]acetamide
CID 119414587
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119445288) is 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is CC(=O)Nc1ccc(F)c(C(=O)NCCN2CCNCC2)c1.Cl.
What is the InChIKey of 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is HXKOBPQQYHLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2.ClH/c1-11(21)19-12-2-3-14(16)13(10-12)15(22)18-6-9-20-7-4-17-5-8-20;/h2-3,10,17H,4-9H2,1H3,(H,18,22)(H,19,21);1H.
What are the key properties of 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 344.82 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119445288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).