N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide

C16H14BrFN2O2 — CID 9276694

IUPACN'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C16H14BrFN2O2/c1-9-3-5-12(10(2)7-9)15(21)19-20-16(22)13-6-4-11(18)8-14(13)17/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyKFPIJYPFDLMWMX-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.28
Rot. Bonds2

About N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide

N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide (PubChem CID 9276694) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
PubChem CID9276694
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C16H14BrFN2O2/c1-9-3-5-12(10(2)7-9)15(21)19-20-16(22)13-6-4-11(18)8-14(13)17/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyKFPIJYPFDLMWMX-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671523
N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
2-bromo-4-fluorobenzohydrazide
CID 16780865

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide (CID 9276694) is N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c(C)c1.
What is the InChIKey of N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide?
The InChIKey is KFPIJYPFDLMWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-9-3-5-12(10(2)7-9)15(21)19-20-16(22)13-6-4-11(18)8-14(13)17/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide?
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide has a molecular weight of 365.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).