2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone

C17H18INO — CID 63566987

IUPAC2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(I)cc1)c1cccc(C)c1
InChIInChI=1S/C17H18INO/c1-3-19(16-6-4-5-13(2)11-16)12-17(20)14-7-9-15(18)10-8-14/h4-11H,3,12H2,1-2H3
InChIKeyCYPPZQQOHMFOHM-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.31
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone

2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone (PubChem CID 63566987) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
PubChem CID63566987
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC Name2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(I)cc1)c1cccc(C)c1
InChIInChI=1S/C17H18INO/c1-3-19(16-6-4-5-13(2)11-16)12-17(20)14-7-9-15(18)10-8-14/h4-11H,3,12H2,1-2H3
InChIKeyCYPPZQQOHMFOHM-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420264
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
potassium 3-(N-ethyl-3-methylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106745772
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone (CID 63566987) is 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone is CCN(CC(=O)c1ccc(I)cc1)c1cccc(C)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone?
The InChIKey is CYPPZQQOHMFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-3-19(16-6-4-5-13(2)11-16)12-17(20)14-7-9-15(18)10-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone?
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone has a molecular weight of 379.24 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 63566987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).