N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline

C23H20Cl2N2O2 — CID 6265596

IUPACN-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline
SMILESCOc1ccc(/N=C/C=C(/Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-28-19-8-4-17(5-9-19)26-14-13-23(16-3-12-21(24)22(25)15-16)27-18-6-10-20(29-2)11-7-18/h3-15,27H,1-2H3/b23-13+,26-14+
InChIKeyPTCCZEJMFFWAMS-OHQCDDMMSA-N
MW427.33 g/mol
LogP6.87
Rot. Bonds7

About N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline

N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline (PubChem CID 6265596) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline
PubChem CID6265596
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC NameN-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline
SMILESCOc1ccc(/N=C/C=C(/Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-28-19-8-4-17(5-9-19)26-14-13-23(16-3-12-21(24)22(25)15-16)27-18-6-10-20(29-2)11-7-18/h3-15,27H,1-2H3/b23-13+,26-14+
InChIKeyPTCCZEJMFFWAMS-OHQCDDMMSA-N
XLogP6.87
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
CID 10473868
(E)-3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 5408001
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
[3-(4-chloroanilino)-3-(3,4-dichlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium
CID 6816553
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 3579255
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline?
The IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline (CID 6265596) is N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline.
What is the SMILES notation for N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline?
The canonical SMILES for N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline is COc1ccc(/N=C/C=C(/Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline?
The InChIKey is PTCCZEJMFFWAMS-OHQCDDMMSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-28-19-8-4-17(5-9-19)26-14-13-23(16-3-12-21(24)22(25)15-16)27-18-6-10-20(29-2)11-7-18/h3-15,27H,1-2H3/b23-13+,26-14+.
What are the key properties of N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline?
N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline has a molecular weight of 427.33 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline is sourced from PubChem (CID 6265596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).