N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide

C23H20Cl2N2O4 — CID 110515524

IUPACN-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20Cl2N2O4/c1-30-22-11-16(13-26-27-23(29)12-15-2-6-18(28)7-3-15)5-9-21(22)31-14-17-4-8-19(24)20(25)10-17/h2-11,13,28H,12,14H2,1H3,(H,27,29)/b26-13-
InChIKeyDHGJTBMXLOFZLZ-ZMFRSBBQSA-N
MW459.33 g/mol
LogP4.98
Rot. Bonds8

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

N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 110515524) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
PubChem CID110515524
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC NameN-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20Cl2N2O4/c1-30-22-11-16(13-26-27-23(29)12-15-2-6-18(28)7-3-15)5-9-21(22)31-14-17-4-8-19(24)20(25)10-17/h2-11,13,28H,12,14H2,1H3,(H,27,29)/b26-13-
InChIKeyDHGJTBMXLOFZLZ-ZMFRSBBQSA-N
XLogP4.98
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6866673
2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058298
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126370963
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]acetamide
CID 110515651
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126229463
2-(4-bromophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061546
3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3803468
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515650
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212779

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide (CID 110515524) is N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide is COc1cc(/C=N\NC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is DHGJTBMXLOFZLZ-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-30-22-11-16(13-26-27-23(29)12-15-2-6-18(28)7-3-15)5-9-21(22)31-14-17-4-8-19(24)20(25)10-17/h2-11,13,28H,12,14H2,1H3,(H,27,29)/b26-13-.
What are the key properties of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide?
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 459.33 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 110515524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).