4-fluoro-N'-propan-2-ylbenzohydrazide

C10H13FN2O — CID 18030

IUPAC4-fluoro-N'-propan-2-ylbenzohydrazide
SMILESCC(C)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O/c1-7(2)12-13-10(14)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3,(H,13,14)
InChIKeyLHTLVTJXNDIKTE-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.47
Rot. Bonds3

About 4-fluoro-N'-propan-2-ylbenzohydrazide

4-fluoro-N'-propan-2-ylbenzohydrazide (PubChem CID 18030) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-fluoro-N'-propan-2-ylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-propan-2-ylbenzohydrazide
PubChem CID18030
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-fluoro-N'-propan-2-ylbenzohydrazide
SMILESCC(C)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O/c1-7(2)12-13-10(14)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3,(H,13,14)
InChIKeyLHTLVTJXNDIKTE-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.47
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 4-fluoro-N'-propan-2-ylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-propan-2-ylbenzohydrazide (CID 18030) is 4-fluoro-N'-propan-2-ylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-propan-2-ylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-propan-2-ylbenzohydrazide is CC(C)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-propan-2-ylbenzohydrazide?
The InChIKey is LHTLVTJXNDIKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(2)12-13-10(14)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3,(H,13,14).
What are the key properties of 4-fluoro-N'-propan-2-ylbenzohydrazide?
4-fluoro-N'-propan-2-ylbenzohydrazide has a molecular weight of 196.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-propan-2-ylbenzohydrazide is sourced from PubChem (CID 18030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).