3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide

C17H17BrN2O3 — CID 17073866

IUPAC3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-3-23-15-9-8-13(10-14(15)18)17(22)20-19-16(21)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDESXRKTXFFWAIC-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.23
Rot. Bonds4

About 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide

3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 17073866) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID17073866
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-3-23-15-9-8-13(10-14(15)18)17(22)20-19-16(21)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDESXRKTXFFWAIC-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide 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

N-[4-[[(3-bromo-4-ethoxybenzoyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17073921
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
CID 17073868
3-bromo-4-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4959904
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993
3-bromo-N-[[(4-methylbenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17339796
3-bromo-N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-ethoxybenzamide
CID 54784804
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide (CID 17073866) is 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is DESXRKTXFFWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-23-15-9-8-13(10-14(15)18)17(22)20-19-16(21)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide?
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 377.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 17073866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).