2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide

C9H10BrFN2O — CID 114559714

IUPAC2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C9H10BrFN2O/c1-13(2)12-9(14)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyBQRIKZCZZPPWQF-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.79
Rot. Bonds2

About 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide

2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide (PubChem CID 114559714) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
PubChem CID114559714
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C9H10BrFN2O/c1-13(2)12-9(14)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyBQRIKZCZZPPWQF-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N',N',6-trimethylbenzohydrazide
CID 126989510
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
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2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
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2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
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2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide?
The IUPAC name of 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide (CID 114559714) is 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide?
The InChIKey is BQRIKZCZZPPWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-13(2)12-9(14)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide?
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide has a molecular weight of 261.09 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 114559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).