4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one

C16H16INO — CID 116603437

IUPAC4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one
SMILESNc1cccc(CCC(=O)Cc2ccc(I)cc2)c1
InChIInChI=1S/C16H16INO/c17-14-7-4-13(5-8-14)11-16(19)9-6-12-2-1-3-15(18)10-12/h1-5,7-8,10H,6,9,11,18H2
InChIKeyLLDRPDMXIUUMMO-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.62
Rot. Bonds5

About 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one

4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one (PubChem CID 116603437) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one.

Molecular Properties

Compound Name4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one
PubChem CID116603437
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one
SMILESNc1cccc(CCC(=O)Cc2ccc(I)cc2)c1
InChIInChI=1S/C16H16INO/c17-14-7-4-13(5-8-14)11-16(19)9-6-12-2-1-3-15(18)10-12/h1-5,7-8,10H,6,9,11,18H2
InChIKeyLLDRPDMXIUUMMO-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
4-(3-aminophenyl)-1-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116603265
4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376676
1-(3-aminophenyl)-4-methylsulfonylbutan-2-one
CID 116577269
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
CID 105103087
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
6-(3-aminophenyl)hexanamide
CID 121009137
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
1-(3-aminophenyl)-4-tert-butylsulfonylbutan-2-one
CID 106736490
4-(4-aminophenyl)-1-(3,5-dimethylphenyl)butan-2-one
CID 116605365

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one?
The IUPAC name of 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one (CID 116603437) is 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one.
What is the SMILES notation for 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one?
The canonical SMILES for 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one is Nc1cccc(CCC(=O)Cc2ccc(I)cc2)c1.
What is the InChIKey of 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one?
The InChIKey is LLDRPDMXIUUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c17-14-7-4-13(5-8-14)11-16(19)9-6-12-2-1-3-15(18)10-12/h1-5,7-8,10H,6,9,11,18H2.
What are the key properties of 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one?
4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one has a molecular weight of 365.21 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one is sourced from PubChem (CID 116603437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).