4-chloro-N-(4-methoxyphenyl)benzohydrazide

C14H13ClN2O2 — CID 586379

IUPAC4-chloro-N-(4-methoxyphenyl)benzohydrazide
SMILESCOc1ccc(N(N)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)17(16)14(18)10-2-4-11(15)5-3-10/h2-9H,16H2,1H3
InChIKeyIURNVVIQOMTXSM-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.87
Rot. Bonds3

About 4-chloro-N-(4-methoxyphenyl)benzohydrazide

4-chloro-N-(4-methoxyphenyl)benzohydrazide (PubChem CID 586379) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)benzohydrazide
PubChem CID586379
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-(4-methoxyphenyl)benzohydrazide
SMILESCOc1ccc(N(N)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)17(16)14(18)10-2-4-11(15)5-3-10/h2-9H,16H2,1H3
InChIKeyIURNVVIQOMTXSM-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)benzohydrazide?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)benzohydrazide (CID 586379) is 4-chloro-N-(4-methoxyphenyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)benzohydrazide?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)benzohydrazide is COc1ccc(N(N)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)benzohydrazide?
The InChIKey is IURNVVIQOMTXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)17(16)14(18)10-2-4-11(15)5-3-10/h2-9H,16H2,1H3.
What are the key properties of 4-chloro-N-(4-methoxyphenyl)benzohydrazide?
4-chloro-N-(4-methoxyphenyl)benzohydrazide has a molecular weight of 276.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)benzohydrazide is sourced from PubChem (CID 586379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).