5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide

C17H16BrFN2O3 — CID 26846108

IUPAC5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2F)cc1C
InChIInChI=1S/C17H16BrFN2O3/c1-10-3-5-13(7-11(10)2)24-9-16(22)20-21-17(23)14-8-12(18)4-6-15(14)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYCLGPJFWYZCZGU-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide

5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide (PubChem CID 26846108) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
PubChem CID26846108
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2F)cc1C
InChIInChI=1S/C17H16BrFN2O3/c1-10-3-5-13(7-11(10)2)24-9-16(22)20-21-17(23)14-8-12(18)4-6-15(14)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYCLGPJFWYZCZGU-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide 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-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353060
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589708
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide (CID 26846108) is 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2F)cc1C.
What is the InChIKey of 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide?
The InChIKey is YCLGPJFWYZCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-10-3-5-13(7-11(10)2)24-9-16(22)20-21-17(23)14-8-12(18)4-6-15(14)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide?
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide has a molecular weight of 395.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 26846108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).