2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide

C18H18Cl2N2O3 — CID 42996241

IUPAC2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C18H18Cl2N2O3/c1-10-5-4-6-16(11(10)2)25-12(3)17(23)21-22-18(24)14-9-13(19)7-8-15(14)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyZQWNOPBHMAXWQE-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.84
Rot. Bonds4

About 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide

2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide (PubChem CID 42996241) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
PubChem CID42996241
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C18H18Cl2N2O3/c1-10-5-4-6-16(11(10)2)25-12(3)17(23)21-22-18(24)14-9-13(19)7-8-15(14)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyZQWNOPBHMAXWQE-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]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

4-chloro-3-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26011408
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 46537226

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide (CID 42996241) is 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The InChIKey is ZQWNOPBHMAXWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-10-5-4-6-16(11(10)2)25-12(3)17(23)21-22-18(24)14-9-13(19)7-8-15(14)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide has a molecular weight of 381.26 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 42996241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).