6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one

C22H18FN3O — CID 135519639

IUPAC6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one
SMILESO=C1CC(c2ccc(F)cc2)N(c2ccccc2)/C(=N/c2ccccc2)N1
InChIInChI=1S/C22H18FN3O/c23-17-13-11-16(12-14-17)20-15-21(27)25-22(24-18-7-3-1-4-8-18)26(20)19-9-5-2-6-10-19/h1-14,20H,15H2,(H,24,25,27)
InChIKeyYYNLKKKIANQBJR-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.58
Rot. Bonds3

About 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one

6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one (PubChem CID 135519639) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one
PubChem CID135519639
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one
SMILESO=C1CC(c2ccc(F)cc2)N(c2ccccc2)/C(=N/c2ccccc2)N1
InChIInChI=1S/C22H18FN3O/c23-17-13-11-16(12-14-17)20-15-21(27)25-22(24-18-7-3-1-4-8-18)26(20)19-9-5-2-6-10-19/h1-14,20H,15H2,(H,24,25,27)
InChIKeyYYNLKKKIANQBJR-UHFFFAOYSA-N
XLogP4.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
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 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one?
The IUPAC name of 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one (CID 135519639) is 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one is O=C1CC(c2ccc(F)cc2)N(c2ccccc2)/C(=N/c2ccccc2)N1.
What is the InChIKey of 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one?
The InChIKey is YYNLKKKIANQBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-17-13-11-16(12-14-17)20-15-21(27)25-22(24-18-7-3-1-4-8-18)26(20)19-9-5-2-6-10-19/h1-14,20H,15H2,(H,24,25,27).
What are the key properties of 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one?
6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one has a molecular weight of 359.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one is sourced from PubChem (CID 135519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).