4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide

C16H18FN3O — CID 63583693

IUPAC4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
SMILESCN(Cc1ccc(C(=O)NN)cc1)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-20(11-14-4-2-3-5-15(14)17)10-12-6-8-13(9-7-12)16(21)19-18/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyIQIYTPWHRCDYHW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.06
Rot. Bonds5

About 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide

4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide (PubChem CID 63583693) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
PubChem CID63583693
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
SMILESCN(Cc1ccc(C(=O)NN)cc1)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-20(11-14-4-2-3-5-15(14)17)10-12-6-8-13(9-7-12)16(21)19-18/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyIQIYTPWHRCDYHW-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
4-[[(5-chloro-2-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 114866855
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide?
The IUPAC name of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide (CID 63583693) is 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide?
The canonical SMILES for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide is CN(Cc1ccc(C(=O)NN)cc1)Cc1ccccc1F.
What is the InChIKey of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide?
The InChIKey is IQIYTPWHRCDYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(11-14-4-2-3-5-15(14)17)10-12-6-8-13(9-7-12)16(21)19-18/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide?
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide has a molecular weight of 287.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide is sourced from PubChem (CID 63583693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).