N'-butyl-4-(2,3-difluorophenyl)benzohydrazide

C17H18F2N2O — CID 118418385

IUPACN'-butyl-4-(2,3-difluorophenyl)benzohydrazide
SMILESCCCCNNC(=O)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C17H18F2N2O/c1-2-3-11-20-21-17(22)13-9-7-12(8-10-13)14-5-4-6-15(18)16(14)19/h4-10,20H,2-3,11H2,1H3,(H,21,22)
InChIKeyOSQKWTZHYXRTBG-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.67
Rot. Bonds6

About N'-butyl-4-(2,3-difluorophenyl)benzohydrazide

N'-butyl-4-(2,3-difluorophenyl)benzohydrazide (PubChem CID 118418385) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N'-butyl-4-(2,3-difluorophenyl)benzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-(2,3-difluorophenyl)benzohydrazide
PubChem CID118418385
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN'-butyl-4-(2,3-difluorophenyl)benzohydrazide
SMILESCCCCNNC(=O)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C17H18F2N2O/c1-2-3-11-20-21-17(22)13-9-7-12(8-10-13)14-5-4-6-15(18)16(14)19/h4-10,20H,2-3,11H2,1H3,(H,21,22)
InChIKeyOSQKWTZHYXRTBG-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-butyl-4-(2,3-difluorophenyl)benzohydrazide?
The IUPAC name of N'-butyl-4-(2,3-difluorophenyl)benzohydrazide (CID 118418385) is N'-butyl-4-(2,3-difluorophenyl)benzohydrazide.
What is the SMILES notation for N'-butyl-4-(2,3-difluorophenyl)benzohydrazide?
The canonical SMILES for N'-butyl-4-(2,3-difluorophenyl)benzohydrazide is CCCCNNC(=O)c1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of N'-butyl-4-(2,3-difluorophenyl)benzohydrazide?
The InChIKey is OSQKWTZHYXRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-2-3-11-20-21-17(22)13-9-7-12(8-10-13)14-5-4-6-15(18)16(14)19/h4-10,20H,2-3,11H2,1H3,(H,21,22).
What are the key properties of N'-butyl-4-(2,3-difluorophenyl)benzohydrazide?
N'-butyl-4-(2,3-difluorophenyl)benzohydrazide has a molecular weight of 304.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-(2,3-difluorophenyl)benzohydrazide is sourced from PubChem (CID 118418385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).