N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

C18H15FN2 — CID 50856275

IUPACN-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2cccc(F)c2)n1-c1ccccc1
InChIInChI=1S/C18H15FN2/c1-14-10-11-18(21(14)17-8-3-2-4-9-17)13-20-16-7-5-6-15(19)12-16/h2-13H,1H3/b20-13+
InChIKeyAFNNRVPYEAFKFX-DEDYPNTBSA-N
MW278.33 g/mol
LogP4.68
Rot. Bonds3

About N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (PubChem CID 50856275) has the molecular formula C18H15FN2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
PubChem CID50856275
Molecular FormulaC18H15FN2
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC NameN-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2cccc(F)c2)n1-c1ccccc1
InChIInChI=1S/C18H15FN2/c1-14-10-11-18(21(14)17-8-3-2-4-9-17)13-20-16-7-5-6-15(19)12-16/h2-13H,1H3/b20-13+
InChIKeyAFNNRVPYEAFKFX-DEDYPNTBSA-N
XLogP4.68
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The IUPAC name of N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (CID 50856275) is N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is Cc1ccc(/C=N/c2cccc(F)c2)n1-c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The InChIKey is AFNNRVPYEAFKFX-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H15FN2/c1-14-10-11-18(21(14)17-8-3-2-4-9-17)13-20-16-7-5-6-15(19)12-16/h2-13H,1H3/b20-13+.
What are the key properties of N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine has a molecular weight of 278.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50856275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).