2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide

C15H16FN3 — CID 55234516

IUPAC2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)c1ccc(C)cc1
InChIInChI=1S/C15H16FN3/c1-10-3-6-12(7-4-10)19(2)14-8-5-11(16)9-13(14)15(17)18/h3-9H,1-2H3,(H3,17,18)
InChIKeySUQQCPNWZSDYLK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.19
Rot. Bonds3

About 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide

2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide (PubChem CID 55234516) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
PubChem CID55234516
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)c1ccc(C)cc1
InChIInChI=1S/C15H16FN3/c1-10-3-6-12(7-4-10)19(2)14-8-5-11(16)9-13(14)15(17)18/h3-9H,1-2H3,(H3,17,18)
InChIKeySUQQCPNWZSDYLK-UHFFFAOYSA-N
XLogP3.19
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide (CID 55234516) is 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(C)c1ccc(C)cc1.
What is the InChIKey of 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide?
The InChIKey is SUQQCPNWZSDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-10-3-6-12(7-4-10)19(2)14-8-5-11(16)9-13(14)15(17)18/h3-9H,1-2H3,(H3,17,18).
What are the key properties of 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide?
2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide has a molecular weight of 257.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 55234516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).