2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C19H20FN3O2 — CID 26158103

IUPAC2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)CC1
InChIInChI=1S/C19H20FN3O2/c1-22-9-11-23(12-10-22)19(25)14-5-4-6-15(13-14)21-18(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyFMCQNIAZBJWUQB-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.47
Rot. Bonds3

About 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 26158103) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID26158103
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)CC1
InChIInChI=1S/C19H20FN3O2/c1-22-9-11-23(12-10-22)19(25)14-5-4-6-15(13-14)21-18(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyFMCQNIAZBJWUQB-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
2-methoxy-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26158648
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 110624077
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
5-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 26158208
2-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 45265924
2-fluoro-6-hydroxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 99619341
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 26158103) is 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)CC1.
What is the InChIKey of 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is FMCQNIAZBJWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-22-9-11-23(12-10-22)19(25)14-5-4-6-15(13-14)21-18(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3,(H,21,24).
What are the key properties of 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26158103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).