3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide

C15H12Cl2N2O3 — CID 17133586

IUPAC3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2N2O3/c1-22-13-4-2-9(3-5-13)14(20)18-19-15(21)10-6-11(16)8-12(17)7-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyLZOQJBQVXOVQNR-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.08
Rot. Bonds3

About 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide

3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide (PubChem CID 17133586) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide
PubChem CID17133586
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2N2O3/c1-22-13-4-2-9(3-5-13)14(20)18-19-15(21)10-6-11(16)8-12(17)7-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyLZOQJBQVXOVQNR-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide?
The IUPAC name of 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide (CID 17133586) is 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide?
The InChIKey is LZOQJBQVXOVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-13-4-2-9(3-5-13)14(20)18-19-15(21)10-6-11(16)8-12(17)7-10/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide?
3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide has a molecular weight of 339.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide is sourced from PubChem (CID 17133586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).