2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

C23H21ClN2O3 — CID 126218854

IUPAC2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-16-8-6-7-11-20(16)25-14-17-12-19(24)23(21(13-17)28-2)29-15-22(27)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyRGRWQNCWIIYOFE-AFUMVMLFSA-N
MW408.89 g/mol
LogP5.43
Rot. Bonds7

About 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126218854) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126218854
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-16-8-6-7-11-20(16)25-14-17-12-19(24)23(21(13-17)28-2)29-15-22(27)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyRGRWQNCWIIYOFE-AFUMVMLFSA-N
XLogP5.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.43
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-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596
2-[2-chloro-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126051170
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126170325
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126272531
2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126220676
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126258921
2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 126047053
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126164747

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126218854) is 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is RGRWQNCWIIYOFE-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16-8-6-7-11-20(16)25-14-17-12-19(24)23(21(13-17)28-2)29-15-22(27)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+.
What are the key properties of 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 408.89 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126218854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).