N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine

C17H13FN2 — CID 50854962

IUPACN-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
SMILESFc1cccc(/N=C/c2ccn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H13FN2/c18-15-5-4-6-16(11-15)19-12-14-9-10-20(13-14)17-7-2-1-3-8-17/h1-13H/b19-12+
InChIKeyUEAFRMLFXGZKRM-XDHOZWIPSA-N
MW264.30 g/mol
LogP4.37
Rot. Bonds3

About N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine

N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine (PubChem CID 50854962) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
PubChem CID50854962
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC NameN-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
SMILESFc1cccc(/N=C/c2ccn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H13FN2/c18-15-5-4-6-16(11-15)19-12-14-9-10-20(13-14)17-7-2-1-3-8-17/h1-13H/b19-12+
InChIKeyUEAFRMLFXGZKRM-XDHOZWIPSA-N
XLogP4.37
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.37
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-(1-phenylpyrrol-3-yl)methanimine?
The IUPAC name of N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine (CID 50854962) is N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine is Fc1cccc(/N=C/c2ccn(-c3ccccc3)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The InChIKey is UEAFRMLFXGZKRM-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H13FN2/c18-15-5-4-6-16(11-15)19-12-14-9-10-20(13-14)17-7-2-1-3-8-17/h1-13H/b19-12+.
What are the key properties of N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine has a molecular weight of 264.30 g/mol, XLogP of 4.37, 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-(1-phenylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50854962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).