N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide

C15H15BrFN3O — CID 107578899

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2NN)cc(C)c1Br
InChIInChI=1S/C15H15BrFN3O/c1-8-6-10(7-9(2)13(8)16)19-15(21)11-4-3-5-12(17)14(11)20-18/h3-7,20H,18H2,1-2H3,(H,19,21)
InChIKeyDKCRVPYDVLYEIH-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.74
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide

N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 107578899) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID107578899
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2NN)cc(C)c1Br
InChIInChI=1S/C15H15BrFN3O/c1-8-6-10(7-9(2)13(8)16)19-15(21)11-4-3-5-12(17)14(11)20-18/h3-7,20H,18H2,1-2H3,(H,19,21)
InChIKeyDKCRVPYDVLYEIH-UHFFFAOYSA-N
XLogP3.74
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.74
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

3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804
3-fluoro-2-hydrazinyl-N-(3-methyl-4-pyridinyl)benzamide
CID 63671738
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide (CID 107578899) is N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide is Cc1cc(NC(=O)c2cccc(F)c2NN)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is DKCRVPYDVLYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-8-6-10(7-9(2)13(8)16)19-15(21)11-4-3-5-12(17)14(11)20-18/h3-7,20H,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide?
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 352.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 107578899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).