1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine

C23H17ClF3NO — CID 54207928

IUPAC1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine
SMILESFc1cc(F)c(-c2ccccc2)c(F)c1CONC(=C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF3NO/c24-17-10-8-16(9-11-17)23(15-6-7-15)28-29-13-18-19(25)12-20(26)21(22(18)27)14-4-2-1-3-5-14/h1-5,8-12,28H,6-7,13H2
InChIKeyPTVTXKWEGYBPLU-UHFFFAOYSA-N
MW415.84 g/mol
LogP6.65
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine

1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine (PubChem CID 54207928) has the molecular formula C23H17ClF3NO and a molecular weight of 415.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine
PubChem CID54207928
Molecular FormulaC23H17ClF3NO
Molecular Weight415.84 g/mol
Exact Mass415.10
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine
SMILESFc1cc(F)c(-c2ccccc2)c(F)c1CONC(=C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF3NO/c24-17-10-8-16(9-11-17)23(15-6-7-15)28-29-13-18-19(25)12-20(26)21(22(18)27)14-4-2-1-3-5-14/h1-5,8-12,28H,6-7,13H2
InChIKeyPTVTXKWEGYBPLU-UHFFFAOYSA-N
XLogP6.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 56.65
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-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine (CID 54207928) is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine is Fc1cc(F)c(-c2ccccc2)c(F)c1CONC(=C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine?
The InChIKey is PTVTXKWEGYBPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3NO/c24-17-10-8-16(9-11-17)23(15-6-7-15)28-29-13-18-19(25)12-20(26)21(22(18)27)14-4-2-1-3-5-14/h1-5,8-12,28H,6-7,13H2.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine?
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine has a molecular weight of 415.84 g/mol, XLogP of 6.65, 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-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54207928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).