(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine

C23H20ClNO — CID 53469709

IUPAC(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine
SMILESC/C(=N\O[C@@H](/C=C/c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO/c1-18(20-13-15-22(24)16-14-20)25-26-23(21-10-6-3-7-11-21)17-12-19-8-4-2-5-9-19/h2-17,23H,1H3/b17-12+,25-18+/t23-/m0/s1
InChIKeyDEMCYPUDZZGZGD-JUQVKQCNSA-N
MW361.87 g/mol
LogP6.54
Rot. Bonds6

About (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine

(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine (PubChem CID 53469709) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine
PubChem CID53469709
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine
SMILESC/C(=N\O[C@@H](/C=C/c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO/c1-18(20-13-15-22(24)16-14-20)25-26-23(21-10-6-3-7-11-21)17-12-19-8-4-2-5-9-19/h2-17,23H,1H3/b17-12+,25-18+/t23-/m0/s1
InChIKeyDEMCYPUDZZGZGD-JUQVKQCNSA-N
XLogP6.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
1-(4-Chlorophenyl)-2-methoxy-2-phenyl-1-ethanone oxime
CID 9638292
N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine
CID 3836516
5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
CID 59544929
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562325
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
CID 46881705
(5R)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562326

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine (CID 53469709) is (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine is C/C(=N\O[C@@H](/C=C/c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine?
The InChIKey is DEMCYPUDZZGZGD-JUQVKQCNSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-18(20-13-15-22(24)16-14-20)25-26-23(21-10-6-3-7-11-21)17-12-19-8-4-2-5-9-19/h2-17,23H,1H3/b17-12+,25-18+/t23-/m0/s1.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine?
(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine has a molecular weight of 361.87 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine is sourced from PubChem (CID 53469709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).