3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide

C18H18Cl2N2O3 — CID 17169474

IUPAC3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C18H18Cl2N2O3/c1-10-4-5-16(6-11(10)2)25-12(3)17(23)21-22-18(24)13-7-14(19)9-15(20)8-13/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKAHICTNKSZRGPW-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.84
Rot. Bonds4

About 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide

3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide (PubChem CID 17169474) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
PubChem CID17169474
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C18H18Cl2N2O3/c1-10-4-5-16(6-11(10)2)25-12(3)17(23)21-22-18(24)13-7-14(19)9-15(20)8-13/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKAHICTNKSZRGPW-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'}

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Related Compounds

3,5-dichloro-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide
CID 17169591
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
CID 17169354
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide
CID 17169505
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide (CID 17169474) is 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide?
The InChIKey is KAHICTNKSZRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-10-4-5-16(6-11(10)2)25-12(3)17(23)21-22-18(24)13-7-14(19)9-15(20)8-13/h4-9,12H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide?
3,5-dichloro-N'-[2-(3,4-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 3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 17169474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).