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

C14H11Cl3N2O2 — CID 91683384

IUPAC3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O2/c15-10-3-1-8(5-11(10)16)7-21-13-4-2-9(6-12(13)17)14(20)19-18/h1-6H,7,18H2,(H,19,20)
InChIKeyAHGSOZZVJYTFAH-UHFFFAOYSA-N
MW345.61 g/mol
LogP3.83
Rot. Bonds4

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

3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide (PubChem CID 91683384) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound Name3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
PubChem CID91683384
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O2/c15-10-3-1-8(5-11(10)16)7-21-13-4-2-9(6-12(13)17)14(20)19-18/h1-6H,7,18H2,(H,19,20)
InChIKeyAHGSOZZVJYTFAH-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 53.83
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-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 132591182
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The IUPAC name of 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide (CID 91683384) is 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The canonical SMILES for 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide is NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The InChIKey is AHGSOZZVJYTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c15-10-3-1-8(5-11(10)16)7-21-13-4-2-9(6-12(13)17)14(20)19-18/h1-6H,7,18H2,(H,19,20).
What are the key properties of 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide has a molecular weight of 345.61 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 91683384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).