3-[(3,4-dichlorophenyl)methoxy]benzohydrazide

C14H12Cl2N2O2 — CID 91682824

IUPAC3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-5-4-9(6-13(12)16)8-20-11-3-1-2-10(7-11)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyOGKBCZOZFILRCA-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.18
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide

3-[(3,4-dichlorophenyl)methoxy]benzohydrazide (PubChem CID 91682824) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
PubChem CID91682824
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-5-4-9(6-13(12)16)8-20-11-3-1-2-10(7-11)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyOGKBCZOZFILRCA-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
CID 8815091
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide (CID 91682824) is 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide is NNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The InChIKey is OGKBCZOZFILRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-5-4-9(6-13(12)16)8-20-11-3-1-2-10(7-11)14(19)18-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide has a molecular weight of 311.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 91682824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).