4-chloro-N'-phenylbenzohydrazide

C13H11ClN2O — CID 27023

IUPAC4-chloro-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)
InChIKeyFHLLMNAAJMLCIX-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-N'-phenylbenzohydrazide

4-chloro-N'-phenylbenzohydrazide (PubChem CID 27023) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-phenylbenzohydrazide
PubChem CID27023
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name4-chloro-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)
InChIKeyFHLLMNAAJMLCIX-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-chloro-N'-phenylbenzohydrazide?
The IUPAC name of 4-chloro-N'-phenylbenzohydrazide (CID 27023) is 4-chloro-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-phenylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-phenylbenzohydrazide is O=C(NNc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-phenylbenzohydrazide?
The InChIKey is FHLLMNAAJMLCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17).
What are the key properties of 4-chloro-N'-phenylbenzohydrazide?
4-chloro-N'-phenylbenzohydrazide has a molecular weight of 246.70 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-phenylbenzohydrazide is sourced from PubChem (CID 27023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).