3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide

C16H18FN3O — CID 62661688

IUPAC3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cccc(F)c2NN)c1
InChIInChI=1S/C16H18FN3O/c1-10(2)11-5-3-6-12(9-11)19-16(21)13-7-4-8-14(17)15(13)20-18/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyWYGIGLDEDJKONA-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.49
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide

3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 62661688) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID62661688
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cccc(F)c2NN)c1
InChIInChI=1S/C16H18FN3O/c1-10(2)11-5-3-6-12(9-11)19-16(21)13-7-4-8-14(17)15(13)20-18/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyWYGIGLDEDJKONA-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.49
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-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
CID 103939983
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105388132
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
CID 107578899
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide (CID 62661688) is 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2cccc(F)c2NN)c1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is WYGIGLDEDJKONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(2)11-5-3-6-12(9-11)19-16(21)13-7-4-8-14(17)15(13)20-18/h3-10,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide?
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 62661688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).