4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide

C24H22ClN3O4 — CID 3918813

IUPAC4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O4/c1-16(29)27-20-10-8-18(9-11-20)24(30)28-26-14-17-7-12-22(23(13-17)31-2)32-15-19-5-3-4-6-21(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHBZBTTMZVGMNBG-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.65
Rot. Bonds8

About 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide

4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide (PubChem CID 3918813) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
PubChem CID3918813
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O4/c1-16(29)27-20-10-8-18(9-11-20)24(30)28-26-14-17-7-12-22(23(13-17)31-2)32-15-19-5-3-4-6-21(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHBZBTTMZVGMNBG-UHFFFAOYSA-N
XLogP4.65
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.65
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

4-chloro-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 19169715
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 25252437
N-[(Z)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-[(2-phenylacetyl)amino]benzamide
CID 98457289
2-amino-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340971
N-[(E)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126339226
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-cyanoacetamide
CID 5350121
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126371203
N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 17201844

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide (CID 3918813) is 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The InChIKey is HBZBTTMZVGMNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-16(29)27-20-10-8-18(9-11-20)24(30)28-26-14-17-7-12-22(23(13-17)31-2)32-15-19-5-3-4-6-21(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide?
4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide has a molecular weight of 451.91 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 3918813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).