2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide

C15H16FN3O — CID 63585311

IUPAC2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
SMILESCN(Cc1ccccc1C(=O)NN)c1ccccc1F
InChIInChI=1S/C15H16FN3O/c1-19(14-9-5-4-8-13(14)16)10-11-6-2-3-7-12(11)15(20)18-17/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyPXCULDJQYVJVOA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.07
Rot. Bonds4

About 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide

2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide (PubChem CID 63585311) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
PubChem CID63585311
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
SMILESCN(Cc1ccccc1C(=O)NN)c1ccccc1F
InChIInChI=1S/C15H16FN3O/c1-19(14-9-5-4-8-13(14)16)10-11-6-2-3-7-12(11)15(20)18-17/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyPXCULDJQYVJVOA-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.07
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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Related Compounds

3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 55246094
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-[(N,3-dimethylanilino)methyl]benzohydrazide
CID 63585084
2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide
CID 63584881
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide?
The IUPAC name of 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide (CID 63585311) is 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide.
What is the SMILES notation for 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide?
The canonical SMILES for 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide is CN(Cc1ccccc1C(=O)NN)c1ccccc1F.
What is the InChIKey of 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide?
The InChIKey is PXCULDJQYVJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(14-9-5-4-8-13(14)16)10-11-6-2-3-7-12(11)15(20)18-17/h2-9H,10,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide?
2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide has a molecular weight of 273.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide is sourced from PubChem (CID 63585311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).