3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide

C14H10Cl4N2O2 — CID 91682789

IUPAC3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4N2O2/c15-9-2-1-7(10(16)5-9)6-22-13-11(17)3-8(4-12(13)18)14(21)20-19/h1-5H,6,19H2,(H,20,21)
InChIKeyUJLHEUUMBXEQBD-UHFFFAOYSA-N
MW380.06 g/mol
LogP4.48
Rot. Bonds4

About 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide

3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide (PubChem CID 91682789) has the molecular formula C14H10Cl4N2O2 and a molecular weight of 380.06 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
PubChem CID91682789
Molecular FormulaC14H10Cl4N2O2
Molecular Weight380.06 g/mol
Exact Mass377.95
IUPAC Name3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4N2O2/c15-9-2-1-7(10(16)5-9)6-22-13-11(17)3-8(4-12(13)18)14(21)20-19/h1-5H,6,19H2,(H,20,21)
InChIKeyUJLHEUUMBXEQBD-UHFFFAOYSA-N
XLogP4.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.06
LogP ≤ 54.48
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-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide
CID 91685924
4-[(2,4-dichlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682061
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682249
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126197958
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 132591174
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 126183262
[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6079153

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide?
The IUPAC name of 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide (CID 91682789) is 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide?
The canonical SMILES for 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide is NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide?
The InChIKey is UJLHEUUMBXEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O2/c15-9-2-1-7(10(16)5-9)6-22-13-11(17)3-8(4-12(13)18)14(21)20-19/h1-5H,6,19H2,(H,20,21).
What are the key properties of 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide?
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide has a molecular weight of 380.06 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 91682789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).