2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide

C15H14ClFN2O — CID 2812387

IUPAC2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide
SMILESCc1ccc(NNC(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-9-6-7-11(8-10(9)2)18-19-15(20)14-12(16)4-3-5-13(14)17/h3-8,18H,1-2H3,(H,19,20)
InChIKeyGEDHTPAYYPTFAJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide

2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide (PubChem CID 2812387) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide
PubChem CID2812387
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide
SMILESCc1ccc(NNC(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-9-6-7-11(8-10(9)2)18-19-15(20)14-12(16)4-3-5-13(14)17/h3-8,18H,1-2H3,(H,19,20)
InChIKeyGEDHTPAYYPTFAJ-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.85
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 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide?
The IUPAC name of 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide (CID 2812387) is 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide?
The canonical SMILES for 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide is Cc1ccc(NNC(=O)c2c(F)cccc2Cl)cc1C.
What is the InChIKey of 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide?
The InChIKey is GEDHTPAYYPTFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-6-7-11(8-10(9)2)18-19-15(20)14-12(16)4-3-5-13(14)17/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide?
2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide has a molecular weight of 292.74 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3,4-dimethylphenyl)-6-fluorobenzohydrazide is sourced from PubChem (CID 2812387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).