2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide

C23H23IN2O3 — CID 126267141

IUPAC2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H23IN2O3/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/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyZCZMOYMSNOTCEE-UHFFFAOYSA-N
MW502.35 g/mol
LogP5.24
Rot. Bonds8

About 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide

2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126267141) has the molecular formula C23H23IN2O3 and a molecular weight of 502.35 g/mol. Its IUPAC name is 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126267141
Molecular FormulaC23H23IN2O3
Molecular Weight502.35 g/mol
Exact Mass502.08
IUPAC Name2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H23IN2O3/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/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyZCZMOYMSNOTCEE-UHFFFAOYSA-N
XLogP5.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.35
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126257833
N-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126119758
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126269915
2-[2-iodo-6-methoxy-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
CID 126263104
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126261528
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126258088
2-[2-iodo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126269116

Frequently Asked Questions

What is the IUPAC name of 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide (CID 126267141) is 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide is COc1cc(CNc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is ZCZMOYMSNOTCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23IN2O3/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/h3-13,25H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 502.35 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126267141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).