[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate

C18H17ClINO4 — CID 42969953

IUPAC[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)Nc1ccccc1I
InChIInChI=1S/C18H17ClINO4/c1-11-9-13(19)7-8-16(11)25-12(2)18(23)24-10-17(22)21-15-6-4-3-5-14(15)20/h3-9,12H,10H2,1-2H3,(H,21,22)
InChIKeyOWJIPFFXAFYNGG-UHFFFAOYSA-N
MW473.69 g/mol
LogP4.20
Rot. Bonds6

About [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate

[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 42969953) has the molecular formula C18H17ClINO4 and a molecular weight of 473.69 g/mol. Its IUPAC name is [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID42969953
Molecular FormulaC18H17ClINO4
Molecular Weight473.69 g/mol
Exact Mass472.99
IUPAC Name[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)Nc1ccccc1I
InChIInChI=1S/C18H17ClINO4/c1-11-9-13(19)7-8-16(11)25-12(2)18(23)24-10-17(22)21-15-6-4-3-5-14(15)20/h3-9,12H,10H2,1-2H3,(H,21,22)
InChIKeyOWJIPFFXAFYNGG-UHFFFAOYSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 42967374
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872831
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-chloro-2-methylphenoxy)propanoate
CID 42989707
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867861
[2-(2,4-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872967
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074239

Frequently Asked Questions

What is the IUPAC name of [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate (CID 42969953) is [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate is Cc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)Nc1ccccc1I.
What is the InChIKey of [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is OWJIPFFXAFYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClINO4/c1-11-9-13(19)7-8-16(11)25-12(2)18(23)24-10-17(22)21-15-6-4-3-5-14(15)20/h3-9,12H,10H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 473.69 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 42969953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).