1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine

C19H13FIN — CID 102078012

IUPAC1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine
SMILESFc1ccc(-c2ccccc2)c(/C=N/c2ccccc2I)c1
InChIInChI=1S/C19H13FIN/c20-16-10-11-17(14-6-2-1-3-7-14)15(12-16)13-22-19-9-5-4-8-18(19)21/h1-13H/b22-13+
InChIKeyXXHSLELHBYEYHB-LPYMAVHISA-N
MW401.22 g/mol
LogP5.85
Rot. Bonds3

About 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine

1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine (PubChem CID 102078012) has the molecular formula C19H13FIN and a molecular weight of 401.22 g/mol. Its IUPAC name is 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine.

Molecular Properties

Compound Name1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine
PubChem CID102078012
Molecular FormulaC19H13FIN
Molecular Weight401.22 g/mol
Exact Mass401.01
IUPAC Name1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine
SMILESFc1ccc(-c2ccccc2)c(/C=N/c2ccccc2I)c1
InChIInChI=1S/C19H13FIN/c20-16-10-11-17(14-6-2-1-3-7-14)15(12-16)13-22-19-9-5-4-8-18(19)21/h1-13H/b22-13+
InChIKeyXXHSLELHBYEYHB-LPYMAVHISA-N
XLogP5.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine
CID 102078029
N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine
CID 102078019
4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;platinum(2+)
CID 86298558
1-(2,5-difluorophenyl)-N-phenylmethanimine
CID 23340889
N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine
CID 102078024
2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
CID 10854741
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
5-fluoro-2-phenylbenzoyl chloride
CID 46314879
N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine?
The IUPAC name of 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine (CID 102078012) is 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine.
What is the SMILES notation for 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine?
The canonical SMILES for 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine is Fc1ccc(-c2ccccc2)c(/C=N/c2ccccc2I)c1.
What is the InChIKey of 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine?
The InChIKey is XXHSLELHBYEYHB-LPYMAVHISA-N. The full InChI is InChI=1S/C19H13FIN/c20-16-10-11-17(14-6-2-1-3-7-14)15(12-16)13-22-19-9-5-4-8-18(19)21/h1-13H/b22-13+.
What are the key properties of 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine?
1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine has a molecular weight of 401.22 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine is sourced from PubChem (CID 102078012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).