N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

C17H16INO3 — CID 84569328

IUPACN-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C17H16INO3/c1-22-15-8-2-12(3-9-15)16(20)10-11-17(21)19-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyAXJHXZZLTCFBKZ-UHFFFAOYSA-N
MW409.22 g/mol
LogP3.90
Rot. Bonds6

About N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 84569328) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID84569328
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC NameN-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C17H16INO3/c1-22-15-8-2-12(3-9-15)16(20)10-11-17(21)19-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyAXJHXZZLTCFBKZ-UHFFFAOYSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-iodoanilino)-1-(4-methoxyphenyl)but-3-en-1-one
CID 2290920
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
3-[[4-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]benzoyl]amino]propanoic acid
CID 108807821
3-[4-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690042
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
CID 49017115
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide (CID 84569328) is N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is AXJHXZZLTCFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO3/c1-22-15-8-2-12(3-9-15)16(20)10-11-17(21)19-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 409.22 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 84569328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).