1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine

C23H18ClF2NO — CID 54494996

IUPAC1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine
SMILESFc1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)c(F)c1-c1ccccc1
InChIInChI=1S/C23H18ClF2NO/c24-19-11-8-17(9-12-19)23(16-6-7-16)27-28-14-18-10-13-20(25)21(22(18)26)15-4-2-1-3-5-15/h1-5,8-13,27H,6-7,14H2
InChIKeyXYKUEYONMXJHSI-UHFFFAOYSA-N
MW397.85 g/mol
LogP6.51
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine

1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine (PubChem CID 54494996) has the molecular formula C23H18ClF2NO and a molecular weight of 397.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine
PubChem CID54494996
Molecular FormulaC23H18ClF2NO
Molecular Weight397.85 g/mol
Exact Mass397.10
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine
SMILESFc1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)c(F)c1-c1ccccc1
InChIInChI=1S/C23H18ClF2NO/c24-19-11-8-17(9-12-19)23(16-6-7-16)27-28-14-18-10-13-20(25)21(22(18)26)15-4-2-1-3-5-15/h1-5,8-13,27H,6-7,14H2
InChIKeyXYKUEYONMXJHSI-UHFFFAOYSA-N
XLogP6.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.85
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine (CID 54494996) is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine is Fc1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)c(F)c1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine?
The InChIKey is XYKUEYONMXJHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO/c24-19-11-8-17(9-12-19)23(16-6-7-16)27-28-14-18-10-13-20(25)21(22(18)26)15-4-2-1-3-5-15/h1-5,8-13,27H,6-7,14H2.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine?
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine has a molecular weight of 397.85 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54494996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).