N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide

C17H19FN4 — CID 129203886

IUPACN'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide
SMILESCc1cccc(C)c1/C(N)=N/N=C(\N)c1c(C)cccc1F
InChIInChI=1S/C17H19FN4/c1-10-6-4-7-11(2)14(10)16(19)21-22-17(20)15-12(3)8-5-9-13(15)18/h4-9H,1-3H3,(H2,19,21)(H2,20,22)
InChIKeyWXPXTSOUUMMEFC-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.78
Rot. Bonds3

About N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide

N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide (PubChem CID 129203886) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide
PubChem CID129203886
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC NameN'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide
SMILESCc1cccc(C)c1/C(N)=N/N=C(\N)c1c(C)cccc1F
InChIInChI=1S/C17H19FN4/c1-10-6-4-7-11(2)14(10)16(19)21-22-17(20)15-12(3)8-5-9-13(15)18/h4-9H,1-3H3,(H2,19,21)(H2,20,22)
InChIKeyWXPXTSOUUMMEFC-UHFFFAOYSA-N
XLogP2.78
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.78
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1''-Biphenyl-3,3''-dicarboximidamide
CID 10082914
[1,1'-Biphenyl]-2-carboximidamide
CID 3683769
4-[4-(4-Carbamimidoylphenyl)-3-fluorophenyl]benzenecarboximidamide
CID 11849614
3-[3-(3-Carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
CID 90664736
3-[[4-(4-Carbamimidoylphenyl)phenyl]methyl]benzenecarboximidamide
CID 164617138
2-(4-carbamimidoylphenyl)-3H-indene-5-carboxamidine
CID 3010575
3-Phenylbenzenecarboximidamide
CID 3564407
3-Benzylbenzene-1-carboximidamide
CID 12254250
Benzamidine, 4-(4-pentylphenyl)-
CID 610740
4-[4-(4-Carbamimidoylphenyl)-3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 11849616
N'-amino-6-[(E)-2-(4-methylphenyl)ethenyl]naphthalene-2-carboximidamide
CID 145961695
N'-amino-6-[(E)-2-(3-fluorophenyl)ethenyl]naphthalene-2-carboximidamide
CID 145962042

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide (CID 129203886) is N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide is Cc1cccc(C)c1/C(N)=N/N=C(\N)c1c(C)cccc1F.
What is the InChIKey of N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide?
The InChIKey is WXPXTSOUUMMEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-10-6-4-7-11(2)14(10)16(19)21-22-17(20)15-12(3)8-5-9-13(15)18/h4-9H,1-3H3,(H2,19,21)(H2,20,22).
What are the key properties of N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide?
N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide has a molecular weight of 298.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2-fluoro-6-methylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide is sourced from PubChem (CID 129203886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).