2-bromo-N',N',6-trimethylbenzohydrazide

C10H13BrN2O — CID 126989510

IUPAC2-bromo-N',N',6-trimethylbenzohydrazide
SMILESCc1cccc(Br)c1C(=O)NN(C)C
InChIInChI=1S/C10H13BrN2O/c1-7-5-4-6-8(11)9(7)10(14)12-13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeySREWJQWXRPLUJN-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.96
Rot. Bonds2

About 2-bromo-N',N',6-trimethylbenzohydrazide

2-bromo-N',N',6-trimethylbenzohydrazide (PubChem CID 126989510) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-N',N',6-trimethylbenzohydrazide.

Molecular Properties

Compound Name2-bromo-N',N',6-trimethylbenzohydrazide
PubChem CID126989510
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-N',N',6-trimethylbenzohydrazide
SMILESCc1cccc(Br)c1C(=O)NN(C)C
InChIInChI=1S/C10H13BrN2O/c1-7-5-4-6-8(11)9(7)10(14)12-13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeySREWJQWXRPLUJN-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'}

Analyze 2-bromo-N',N',6-trimethylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
2-bromo-N-ethyl-N,6-dimethylbenzamide
CID 130664662
2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
CID 130774849
2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 130618692
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
azetidin-1-yl-(2-bromo-6-methylphenyl)methanone
CID 130648617
2-bromo-N',N',4-trimethylbenzohydrazide
CID 83016175
3-(2-bromo-6-methylphenyl)-2-methyl-3-oxopropanenitrile
CID 131001410
3-hydroxy-N',N',2-trimethylbenzohydrazide
CID 83017028
2,6-dimethylbenzoyl iodide
CID 87941795
2-bromo-6-methyl-N-[(8S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide
CID 164630466

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N',N',6-trimethylbenzohydrazide?
The IUPAC name of 2-bromo-N',N',6-trimethylbenzohydrazide (CID 126989510) is 2-bromo-N',N',6-trimethylbenzohydrazide.
What is the SMILES notation for 2-bromo-N',N',6-trimethylbenzohydrazide?
The canonical SMILES for 2-bromo-N',N',6-trimethylbenzohydrazide is Cc1cccc(Br)c1C(=O)NN(C)C.
What is the InChIKey of 2-bromo-N',N',6-trimethylbenzohydrazide?
The InChIKey is SREWJQWXRPLUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-5-4-6-8(11)9(7)10(14)12-13(2)3/h4-6H,1-3H3,(H,12,14).
What are the key properties of 2-bromo-N',N',6-trimethylbenzohydrazide?
2-bromo-N',N',6-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',6-trimethylbenzohydrazide is sourced from PubChem (CID 126989510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).