2-chloro-5-(4-fluorophenyl)benzohydrazide

C13H10ClFN2O — CID 68522145

IUPAC2-chloro-5-(4-fluorophenyl)benzohydrazide
SMILESNNC(=O)c1cc(-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C13H10ClFN2O/c14-12-6-3-9(7-11(12)13(18)17-16)8-1-4-10(15)5-2-8/h1-7H,16H2,(H,17,18)
InChIKeySUBRSLWKJOWMBV-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.75
Rot. Bonds2

About 2-chloro-5-(4-fluorophenyl)benzohydrazide

2-chloro-5-(4-fluorophenyl)benzohydrazide (PubChem CID 68522145) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-5-(4-fluorophenyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-5-(4-fluorophenyl)benzohydrazide
PubChem CID68522145
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-chloro-5-(4-fluorophenyl)benzohydrazide
SMILESNNC(=O)c1cc(-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C13H10ClFN2O/c14-12-6-3-9(7-11(12)13(18)17-16)8-1-4-10(15)5-2-8/h1-7H,16H2,(H,17,18)
InChIKeySUBRSLWKJOWMBV-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-chloro-5-(4-fluorophenyl)benzohydrazide?
The IUPAC name of 2-chloro-5-(4-fluorophenyl)benzohydrazide (CID 68522145) is 2-chloro-5-(4-fluorophenyl)benzohydrazide.
What is the SMILES notation for 2-chloro-5-(4-fluorophenyl)benzohydrazide?
The canonical SMILES for 2-chloro-5-(4-fluorophenyl)benzohydrazide is NNC(=O)c1cc(-c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-fluorophenyl)benzohydrazide?
The InChIKey is SUBRSLWKJOWMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-12-6-3-9(7-11(12)13(18)17-16)8-1-4-10(15)5-2-8/h1-7H,16H2,(H,17,18).
What are the key properties of 2-chloro-5-(4-fluorophenyl)benzohydrazide?
2-chloro-5-(4-fluorophenyl)benzohydrazide has a molecular weight of 264.69 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-fluorophenyl)benzohydrazide is sourced from PubChem (CID 68522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).