2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide

C23H19Cl3N2O3 — CID 126058298

IUPAC2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl3N2O3/c1-14-3-6-17(19(25)9-14)23(29)28-27-12-15-5-8-21(22(11-15)30-2)31-13-16-4-7-18(24)20(26)10-16/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-
InChIKeyOARLGPYUWOGENV-PPDIBHTLSA-N
MW477.78 g/mol
LogP6.31
Rot. Bonds7

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

2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide (PubChem CID 126058298) has the molecular formula C23H19Cl3N2O3 and a molecular weight of 477.78 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
PubChem CID126058298
Molecular FormulaC23H19Cl3N2O3
Molecular Weight477.78 g/mol
Exact Mass476.05
IUPAC Name2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl3N2O3/c1-14-3-6-17(19(25)9-14)23(29)28-27-12-15-5-8-21(22(11-15)30-2)31-13-16-4-7-18(24)20(26)10-16/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-
InChIKeyOARLGPYUWOGENV-PPDIBHTLSA-N
XLogP6.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 56.31
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

2-chloro-N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126059474
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515524
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7369666
[4-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 41002107
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
2-chloro-N-[(Z)-[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126061899
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 4607949
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
5-[[2-methoxy-4-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3501594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide (CID 126058298) is 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide is COc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide?
The InChIKey is OARLGPYUWOGENV-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H19Cl3N2O3/c1-14-3-6-17(19(25)9-14)23(29)28-27-12-15-5-8-21(22(11-15)30-2)31-13-16-4-7-18(24)20(26)10-16/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-.
What are the key properties of 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide?
2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide has a molecular weight of 477.78 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 126058298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).