2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide

C15H16FN3O — CID 76929854

IUPAC2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccccc1C(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-19(13-8-6-12(16)7-9-13)10-11-4-2-3-5-14(11)15(17)18-20/h2-9,20H,10H2,1H3,(H2,17,18)
InChIKeySICSTOZZZMVVDP-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.56
Rot. Bonds4

About 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide

2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76929854) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76929854
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccccc1C(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-19(13-8-6-12(16)7-9-13)10-11-4-2-3-5-14(11)15(17)18-20/h2-9,20H,10H2,1H3,(H2,17,18)
InChIKeySICSTOZZZMVVDP-UHFFFAOYSA-N
XLogP2.56
TPSA61.85 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(N,4-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116552
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114346077
2-[(4-fluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43187738
2-bromo-N'-hydroxy-4-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 107278600
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904227
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
CID 60964779
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 76929854) is 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide is CN(Cc1ccccc1C(N)=NO)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SICSTOZZZMVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(13-8-6-12(16)7-9-13)10-11-4-2-3-5-14(11)15(17)18-20/h2-9,20H,10H2,1H3,(H2,17,18).
What are the key properties of 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76929854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).