N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide

C17H18INO2 — CID 9378057

IUPACN-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C17H18INO2/c1-11-4-7-16(21-3)13(8-11)9-17(20)19-14-6-5-12(2)15(18)10-14/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyAYZYOHYFTMPYHS-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.10
Rot. Bonds4

About N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide

N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 9378057) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
PubChem CID9378057
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC NameN-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C17H18INO2/c1-11-4-7-16(21-3)13(8-11)9-17(20)19-14-6-5-12(2)15(18)10-14/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyAYZYOHYFTMPYHS-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide
CID 2676752
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457
2-(2,5-dimethoxyphenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7581668
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide (CID 9378057) is N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1CC(=O)Nc1ccc(C)c(I)c1.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is AYZYOHYFTMPYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-11-4-7-16(21-3)13(8-11)9-17(20)19-14-6-5-12(2)15(18)10-14/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide?
N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 395.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 9378057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).