N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide

C16H17FN2O — CID 9181814

IUPACN'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide
SMILESCCN(NC(=O)c1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H17FN2O/c1-3-19(15-10-4-12(2)5-11-15)18-16(20)13-6-8-14(17)9-7-13/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyCCDDLBPQDYJXBK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.31
Rot. Bonds4

About N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide

N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide (PubChem CID 9181814) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide
PubChem CID9181814
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide
SMILESCCN(NC(=O)c1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H17FN2O/c1-3-19(15-10-4-12(2)5-11-15)18-16(20)13-6-8-14(17)9-7-13/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyCCDDLBPQDYJXBK-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide?
The IUPAC name of N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide (CID 9181814) is N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide.
What is the SMILES notation for N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide?
The canonical SMILES for N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide is CCN(NC(=O)c1ccc(F)cc1)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide?
The InChIKey is CCDDLBPQDYJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-19(15-10-4-12(2)5-11-15)18-16(20)13-6-8-14(17)9-7-13/h4-11H,3H2,1-2H3,(H,18,20).
What are the key properties of N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide?
N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide has a molecular weight of 272.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide is sourced from PubChem (CID 9181814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).