2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide

C16H18FN3O — CID 63584881

IUPAC2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-2-20(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16(21)19-18/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyIYXIZRMURKHXOG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.46
Rot. Bonds5

About 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide

2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide (PubChem CID 63584881) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide
PubChem CID63584881
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-2-20(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16(21)19-18/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyIYXIZRMURKHXOG-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide?
The IUPAC name of 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide (CID 63584881) is 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide.
What is the SMILES notation for 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide?
The canonical SMILES for 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide is CCN(Cc1ccccc1C(=O)NN)c1ccc(F)cc1.
What is the InChIKey of 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide?
The InChIKey is IYXIZRMURKHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-20(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16(21)19-18/h3-10H,2,11,18H2,1H3,(H,19,21).
What are the key properties of 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide?
2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide has a molecular weight of 287.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide is sourced from PubChem (CID 63584881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).