N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide

C18H21FN2O — CID 118418462

IUPACN'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide
SMILESCCCCNNC(=O)c1ccc(-c2cc(C)cc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyRVPBGXMIWLAEPK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.84
Rot. Bonds6

About N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide

N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide (PubChem CID 118418462) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide
PubChem CID118418462
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide
SMILESCCCCNNC(=O)c1ccc(-c2cc(C)cc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyRVPBGXMIWLAEPK-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.84
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-(3-fluoro-5-methylphenyl)benzohydrazide?
The IUPAC name of N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide (CID 118418462) is N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide.
What is the SMILES notation for N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide?
The canonical SMILES for N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide is CCCCNNC(=O)c1ccc(-c2cc(C)cc(F)c2)cc1.
What is the InChIKey of N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide?
The InChIKey is RVPBGXMIWLAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide?
N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide has a molecular weight of 300.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide is sourced from PubChem (CID 118418462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).