2-bromo-N',N',4-trimethylbenzohydrazide

C10H13BrN2O — CID 83016175

IUPAC2-bromo-N',N',4-trimethylbenzohydrazide
SMILESCc1ccc(C(=O)NN(C)C)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-4-5-8(9(11)6-7)10(14)12-13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyKNJWYDTZRZFXEC-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.96
Rot. Bonds2

About 2-bromo-N',N',4-trimethylbenzohydrazide

2-bromo-N',N',4-trimethylbenzohydrazide (PubChem CID 83016175) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-N',N',4-trimethylbenzohydrazide.

Molecular Properties

Compound Name2-bromo-N',N',4-trimethylbenzohydrazide
PubChem CID83016175
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-N',N',4-trimethylbenzohydrazide
SMILESCc1ccc(C(=O)NN(C)C)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-4-5-8(9(11)6-7)10(14)12-13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyKNJWYDTZRZFXEC-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.96
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-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 113407755
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
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2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
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2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
CID 107812622
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
CID 106165114
1-(2-bromo-4-methylphenyl)-3-methylbut-2-en-1-one
CID 115780794
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N',N',4-trimethylbenzohydrazide?
The IUPAC name of 2-bromo-N',N',4-trimethylbenzohydrazide (CID 83016175) is 2-bromo-N',N',4-trimethylbenzohydrazide.
What is the SMILES notation for 2-bromo-N',N',4-trimethylbenzohydrazide?
The canonical SMILES for 2-bromo-N',N',4-trimethylbenzohydrazide is Cc1ccc(C(=O)NN(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-N',N',4-trimethylbenzohydrazide?
The InChIKey is KNJWYDTZRZFXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-4-5-8(9(11)6-7)10(14)12-13(2)3/h4-6H,1-3H3,(H,12,14).
What are the key properties of 2-bromo-N',N',4-trimethylbenzohydrazide?
2-bromo-N',N',4-trimethylbenzohydrazide has a molecular weight of 257.13 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N',N',4-trimethylbenzohydrazide is sourced from PubChem (CID 83016175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).