N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide

C13H11BrFN3O — CID 113452479

IUPACN-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrFN3O/c14-10-7-8(5-6-11(10)15)17-13(19)9-3-1-2-4-12(9)18-16/h1-7,18H,16H2,(H,17,19)
InChIKeyHFIHIJINUUWXPP-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide

N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide (PubChem CID 113452479) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
PubChem CID113452479
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrFN3O/c14-10-7-8(5-6-11(10)15)17-13(19)9-3-1-2-4-12(9)18-16/h1-7,18H,16H2,(H,17,19)
InChIKeyHFIHIJINUUWXPP-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.13
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-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
2-hydrazinyl-N-phenylbenzamide
CID 12569370
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CID 115661483
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide (CID 113452479) is N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide is NNc1ccccc1C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide?
The InChIKey is HFIHIJINUUWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-10-7-8(5-6-11(10)15)17-13(19)9-3-1-2-4-12(9)18-16/h1-7,18H,16H2,(H,17,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide?
N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide is sourced from PubChem (CID 113452479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).