4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide

C19H21FN3O2+ — CID 6920712

IUPAC4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
SMILESC[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c1-22-10-12-23(13-11-22)19(25)16-4-2-3-5-17(16)21-18(24)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,24)/p+1
InChIKeyWEZCDFAHERGUAW-UHFFFAOYSA-O
MW342.39 g/mol
LogP1.05
Rot. Bonds3

About 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide

4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide (PubChem CID 6920712) has the molecular formula C19H21FN3O2+ and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
PubChem CID6920712
Molecular FormulaC19H21FN3O2+
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
SMILESC[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c1-22-10-12-23(13-11-22)19(25)16-4-2-3-5-17(16)21-18(24)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,24)/p+1
InChIKeyWEZCDFAHERGUAW-UHFFFAOYSA-O
XLogP1.05
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 9206565
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-methylbenzamide
CID 4048530
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
3-chloro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 7258590
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4933228
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
4-fluoro-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide
CID 7573816

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide (CID 6920712) is 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide is C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
The InChIKey is WEZCDFAHERGUAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20FN3O2/c1-22-10-12-23(13-11-22)19(25)16-4-2-3-5-17(16)21-18(24)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,24)/p+1.
What are the key properties of 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide has a molecular weight of 342.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 6920712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).