1-(4-iodophenyl)-2-(4-methylanilino)ethanone

C15H14INO — CID 35580992

IUPAC1-(4-iodophenyl)-2-(4-methylanilino)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14INO/c1-11-2-8-14(9-3-11)17-10-15(18)12-4-6-13(16)7-5-12/h2-9,17H,10H2,1H3
InChIKeyZOFAXYAZORYIDS-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-iodophenyl)-2-(4-methylanilino)ethanone

1-(4-iodophenyl)-2-(4-methylanilino)ethanone (PubChem CID 35580992) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(4-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(4-methylanilino)ethanone
PubChem CID35580992
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name1-(4-iodophenyl)-2-(4-methylanilino)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14INO/c1-11-2-8-14(9-3-11)17-10-15(18)12-4-6-13(16)7-5-12/h2-9,17H,10H2,1H3
InChIKeyZOFAXYAZORYIDS-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.89
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-(4-iodoanilino)-1-(4-methylphenyl)ethanone
CID 110823714
2-(4-methylanilino)-1-phenylethanone
CID 4230722
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(4-methylanilino)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(4-methylanilino)ethanone (CID 35580992) is 1-(4-iodophenyl)-2-(4-methylanilino)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(4-methylanilino)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(4-methylanilino)ethanone is Cc1ccc(NCC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-(4-methylanilino)ethanone?
The InChIKey is ZOFAXYAZORYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c1-11-2-8-14(9-3-11)17-10-15(18)12-4-6-13(16)7-5-12/h2-9,17H,10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-(4-methylanilino)ethanone?
1-(4-iodophenyl)-2-(4-methylanilino)ethanone has a molecular weight of 351.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(4-methylanilino)ethanone is sourced from PubChem (CID 35580992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).