5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide

C16H23FN4O2 — CID 119391077

IUPAC5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C16H23FN4O2/c1-12(22)20-13-3-4-15(17)14(11-13)16(23)19-5-2-8-21-9-6-18-7-10-21/h3-4,11,18H,2,5-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyKEJDGUOOYLMCNZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.81
Rot. Bonds6

About 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide

5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119391077) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119391077
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C16H23FN4O2/c1-12(22)20-13-3-4-15(17)14(11-13)16(23)19-5-2-8-21-9-6-18-7-10-21/h3-4,11,18H,2,5-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyKEJDGUOOYLMCNZ-UHFFFAOYSA-N
XLogP0.81
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)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

5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445288
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
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
1-(4-fluorophenyl)-2,5-dimethyl-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119393216
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
N-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]acetamide
CID 119414587
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide (CID 119391077) is 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide is CC(=O)Nc1ccc(F)c(C(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is KEJDGUOOYLMCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-12(22)20-13-3-4-15(17)14(11-13)16(23)19-5-2-8-21-9-6-18-7-10-21/h3-4,11,18H,2,5-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 322.38 g/mol, XLogP of 0.81, 6 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-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119391077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).