N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine

C23H19F2N — CID 102030760

IUPACN-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine
SMILESC=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N/c1-2-9-22(19-14-20(24)16-21(25)15-19)26-23(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-8,10-16,22H,1,9H2/t22-/m1/s1
InChIKeySXZARRSUJWQMAG-JOCHJYFZSA-N
MW347.41 g/mol
LogP6.12
Rot. Bonds6

About N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine

N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine (PubChem CID 102030760) has the molecular formula C23H19F2N and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine
PubChem CID102030760
Molecular FormulaC23H19F2N
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine
SMILESC=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N/c1-2-9-22(19-14-20(24)16-21(25)15-19)26-23(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-8,10-16,22H,1,9H2/t22-/m1/s1
InChIKeySXZARRSUJWQMAG-JOCHJYFZSA-N
XLogP6.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydrobenzamide
CID 9566477
Methanediamine, 1-phenyl-N,N'-bis(phenylmethylene)-, (E,E)-
CID 66704
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
2,3-Diphenyl-2H-azirine
CID 140090
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
Benzenamine, N-[bis(4-fluorophenyl)methylene]-
CID 2317228
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
CID 67464029
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine (CID 102030760) is N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine is C=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine?
The InChIKey is SXZARRSUJWQMAG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H19F2N/c1-2-9-22(19-14-20(24)16-21(25)15-19)26-23(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-8,10-16,22H,1,9H2/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine?
N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine has a molecular weight of 347.41 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 102030760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).