3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide

C14H14FN3O — CID 82240745

IUPAC3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2cccc(OC)c2)c(F)c1
InChIInChI=1S/C14H14FN3O/c1-19-11-4-2-3-10(8-11)18-13-6-5-9(14(16)17)7-12(13)15/h2-8,18H,1H3,(H3,16,17)
InChIKeyJKORNTDBPHIMKQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.86
Rot. Bonds4

About 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide

3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide (PubChem CID 82240745) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide
PubChem CID82240745
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2cccc(OC)c2)c(F)c1
InChIInChI=1S/C14H14FN3O/c1-19-11-4-2-3-10(8-11)18-13-6-5-9(14(16)17)7-12(13)15/h2-8,18H,1H3,(H3,16,17)
InChIKeyJKORNTDBPHIMKQ-UHFFFAOYSA-N
XLogP2.86
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
CID 123739747
3-(2-fluoro-4-methoxyanilino)phenol
CID 82537335
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
2-fluoro-6-(3-methoxyanilino)benzenecarbothioamide
CID 79513512
1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
CID 82535316
3,4-dianilinobenzenecarboximidamide
CID 142296312
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
3-(2-methylanilino)benzenecarboximidamide
CID 173292322
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide (CID 82240745) is 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Nc2cccc(OC)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide?
The InChIKey is JKORNTDBPHIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-19-11-4-2-3-10(8-11)18-13-6-5-9(14(16)17)7-12(13)15/h2-8,18H,1H3,(H3,16,17).
What are the key properties of 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide?
3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide has a molecular weight of 259.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide is sourced from PubChem (CID 82240745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).