4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide

C18H18INO2 — CID 9104803

IUPAC4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
SMILESCc1ccccc1CNC(=O)CCC(=O)c1ccc(I)cc1
InChIInChI=1S/C18H18INO2/c1-13-4-2-3-5-15(13)12-20-18(22)11-10-17(21)14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyOJIATKYSYAUEEG-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.88
Rot. Bonds6

About 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide

4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide (PubChem CID 9104803) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
PubChem CID9104803
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
SMILESCc1ccccc1CNC(=O)CCC(=O)c1ccc(I)cc1
InChIInChI=1S/C18H18INO2/c1-13-4-2-3-5-15(13)12-20-18(22)11-10-17(21)14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyOJIATKYSYAUEEG-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.88
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

N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 110688931
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide (CID 9104803) is 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide is Cc1ccccc1CNC(=O)CCC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide?
The InChIKey is OJIATKYSYAUEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO2/c1-13-4-2-3-5-15(13)12-20-18(22)11-10-17(21)14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide?
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide has a molecular weight of 407.25 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 9104803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).