4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine

C13H12FN3 — CID 163940472

IUPAC4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
SMILES[H]/N=C(\c1cccc(F)c1)c1ccc(N)cc1N
InChIInChI=1S/C13H12FN3/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,17H,15-16H2/b17-13+
InChIKeyRQOLSHKOCWYQKM-GHRIWEEISA-N
MW229.26 g/mol
LogP2.41
Rot. Bonds2

About 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine

4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine (PubChem CID 163940472) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
PubChem CID163940472
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
SMILES[H]/N=C(\c1cccc(F)c1)c1ccc(N)cc1N
InChIInChI=1S/C13H12FN3/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,17H,15-16H2/b17-13+
InChIKeyRQOLSHKOCWYQKM-GHRIWEEISA-N
XLogP2.41
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
CID 142178906
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol
CID 142179153
[4-amino-2-(3-fluorobenzenecarboximidoyl)-3-methoxyanilino]thallium
CID 142179068
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
N-(2,3-dihydroxypropyl)formamide;2-(3-fluorobenzenecarboximidoyl)-4-methylaniline
CID 142179115
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline
CID 177143229
3-(4-aminobenzenecarboximidoyl)benzoic acid
CID 174991264

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine?
The IUPAC name of 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine (CID 163940472) is 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine?
The canonical SMILES for 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine is [H]/N=C(\c1cccc(F)c1)c1ccc(N)cc1N.
What is the InChIKey of 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine?
The InChIKey is RQOLSHKOCWYQKM-GHRIWEEISA-N. The full InChI is InChI=1S/C13H12FN3/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,17H,15-16H2/b17-13+.
What are the key properties of 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine?
4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine has a molecular weight of 229.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine is sourced from PubChem (CID 163940472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).