N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide

C14H13BrFN3O — CID 62513483

IUPACN-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H13BrFN3O/c1-8-2-5-12(19-17)10(6-8)14(20)18-13-7-9(15)3-4-11(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyGMZYKSLYXSGDJU-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.43
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide

N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 62513483) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID62513483
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC NameN-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H13BrFN3O/c1-8-2-5-12(19-17)10(6-8)14(20)18-13-7-9(15)3-4-11(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyGMZYKSLYXSGDJU-UHFFFAOYSA-N
XLogP3.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.43
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-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
N-(4-bromo-2-carbamothioylphenyl)-2-fluoro-5-methylbenzamide
CID 82695396
N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62509085
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
5-bromo-N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242736
5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667
5-chloro-N-(2,5-dibromophenyl)-2-hydrazinylbenzamide
CID 62247491
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 107531322

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide (CID 62513483) is N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)Nc2cc(Br)ccc2F)c1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is GMZYKSLYXSGDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-8-2-5-12(19-17)10(6-8)14(20)18-13-7-9(15)3-4-11(13)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62513483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).