2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide

C25H25ClN2O3 — CID 126206153

IUPAC2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H25ClN2O3/c1-16-6-5-7-20(10-16)28-24(29)15-31-25-21(26)12-19(13-23(25)30-4)14-27-22-11-17(2)8-9-18(22)3/h5-14H,15H2,1-4H3,(H,28,29)/b27-14+
InChIKeyFVPBWEJZBYPQHW-MZJWZYIUSA-N
MW436.94 g/mol
LogP6.04
Rot. Bonds7

About 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide

2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126206153) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126206153
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H25ClN2O3/c1-16-6-5-7-20(10-16)28-24(29)15-31-25-21(26)12-19(13-23(25)30-4)14-27-22-11-17(2)8-9-18(22)3/h5-14H,15H2,1-4H3,(H,28,29)/b27-14+
InChIKeyFVPBWEJZBYPQHW-MZJWZYIUSA-N
XLogP6.04
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide
CID 126209254
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126272531
N-[(E)-[3-chloro-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126262439
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126258921
N-[(E)-[3-chloro-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 126269814

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide (CID 126206153) is 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide is COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is FVPBWEJZBYPQHW-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-16-6-5-7-20(10-16)28-24(29)15-31-25-21(26)12-19(13-23(25)30-4)14-27-22-11-17(2)8-9-18(22)3/h5-14H,15H2,1-4H3,(H,28,29)/b27-14+.
What are the key properties of 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 436.94 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126206153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).