3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide

C15H15F2N3O — CID 62660456

IUPAC3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
SMILESCC(NC(=O)c1cccc(F)c1NN)c1ccc(F)cc1
InChIInChI=1S/C15H15F2N3O/c1-9(10-5-7-11(16)8-6-10)19-15(21)12-3-2-4-13(17)14(12)20-18/h2-9,20H,18H2,1H3,(H,19,21)
InChIKeyHGODFIJJLQKKMY-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.74
Rot. Bonds4

About 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide

3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide (PubChem CID 62660456) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
PubChem CID62660456
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
SMILESCC(NC(=O)c1cccc(F)c1NN)c1ccc(F)cc1
InChIInChI=1S/C15H15F2N3O/c1-9(10-5-7-11(16)8-6-10)19-15(21)12-3-2-4-13(17)14(12)20-18/h2-9,20H,18H2,1H3,(H,19,21)
InChIKeyHGODFIJJLQKKMY-UHFFFAOYSA-N
XLogP2.74
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 55258868
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
3-fluoro-N-(5-fluoro-2-pyridinyl)-2-hydrazinylbenzamide
CID 65481879

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide?
The IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide (CID 62660456) is 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide?
The canonical SMILES for 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide is CC(NC(=O)c1cccc(F)c1NN)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide?
The InChIKey is HGODFIJJLQKKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9(10-5-7-11(16)8-6-10)19-15(21)12-3-2-4-13(17)14(12)20-18/h2-9,20H,18H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide?
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide is sourced from PubChem (CID 62660456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).