4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline

C21H17Cl3N2O2 — CID 110506064

IUPAC4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl3N2O2/c1-27-21-10-14(12-25-26-18-7-5-16(22)6-8-18)2-9-20(21)28-13-15-3-4-17(23)11-19(15)24/h2-12,26H,13H2,1H3/b25-12+
InChIKeyRSUGIELDGWCWDX-BRJLIKDPSA-N
MW435.74 g/mol
LogP6.68
Rot. Bonds7

About 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline

4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (PubChem CID 110506064) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
PubChem CID110506064
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC Name4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl3N2O2/c1-27-21-10-14(12-25-26-18-7-5-16(22)6-8-18)2-9-20(21)28-13-15-3-4-17(23)11-19(15)24/h2-12,26H,13H2,1H3/b25-12+
InChIKeyRSUGIELDGWCWDX-BRJLIKDPSA-N
XLogP6.68
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 19059944
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618550
1-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-phenylthiourea
CID 6258926
1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-phenylthiourea
CID 22693913
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3585337
3-chloro-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840215
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (CID 110506064) is 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The InChIKey is RSUGIELDGWCWDX-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c1-27-21-10-14(12-25-26-18-7-5-16(22)6-8-18)2-9-20(21)28-13-15-3-4-17(23)11-19(15)24/h2-12,26H,13H2,1H3/b25-12+.
What are the key properties of 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline has a molecular weight of 435.74 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 110506064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).