4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide

C23H21ClN2O4 — CID 24605944

IUPAC4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
SMILESCOc1cc(/C=N/OCc2ccc(C(N)=O)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O4/c1-28-22-12-18(6-11-21(22)29-14-16-4-9-20(24)10-5-16)13-26-30-15-17-2-7-19(8-3-17)23(25)27/h2-13H,14-15H2,1H3,(H2,25,27)/b26-13+
InChIKeyDEFFQGYGIWNXFH-LGJNPRDNSA-N
MW424.88 g/mol
LogP4.58
Rot. Bonds9

About 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide

4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide (PubChem CID 24605944) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
PubChem CID24605944
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
SMILESCOc1cc(/C=N/OCc2ccc(C(N)=O)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O4/c1-28-22-12-18(6-11-21(22)29-14-16-4-9-20(24)10-5-16)13-26-30-15-17-2-7-19(8-3-17)23(25)27/h2-13H,14-15H2,1H3,(H2,25,27)/b26-13+
InChIKeyDEFFQGYGIWNXFH-LGJNPRDNSA-N
XLogP4.58
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
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

1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 2457541
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3856625
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673
2-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(ethylcarbamoyl)acetamide
CID 7642554
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
CID 24581600
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide?
The IUPAC name of 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide (CID 24605944) is 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide.
What is the SMILES notation for 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide?
The canonical SMILES for 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide is COc1cc(/C=N/OCc2ccc(C(N)=O)cc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide?
The InChIKey is DEFFQGYGIWNXFH-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-28-22-12-18(6-11-21(22)29-14-16-4-9-20(24)10-5-16)13-26-30-15-17-2-7-19(8-3-17)23(25)27/h2-13H,14-15H2,1H3,(H2,25,27)/b26-13+.
What are the key properties of 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide?
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide has a molecular weight of 424.88 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide is sourced from PubChem (CID 24605944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).