2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid

C11H12INO4 — CID 60708310

IUPAC2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
SMILESCc1cc(I)ccc1NC(=O)COCC(=O)O
InChIInChI=1S/C11H12INO4/c1-7-4-8(12)2-3-9(7)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyFSOCSSKRKSRWRP-UHFFFAOYSA-N
MW349.12 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid

2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid (PubChem CID 60708310) has the molecular formula C11H12INO4 and a molecular weight of 349.12 g/mol. Its IUPAC name is 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
PubChem CID60708310
Molecular FormulaC11H12INO4
Molecular Weight349.12 g/mol
Exact Mass348.98
IUPAC Name2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
SMILESCc1cc(I)ccc1NC(=O)COCC(=O)O
InChIInChI=1S/C11H12INO4/c1-7-4-8(12)2-3-9(7)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyFSOCSSKRKSRWRP-UHFFFAOYSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627070
1-O-ethyl 4-O-[2-(4-iodo-2-methylanilino)-2-oxoethyl] but-2-enedioate
CID 4986163
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 3498018
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
trans-[2-(4-iodo-2-methylanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2359464
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23986800
2-[2-(2-methoxy-4-methylanilino)-2-oxoethoxy]acetic acid
CID 61328811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid (CID 60708310) is 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid is Cc1cc(I)ccc1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid?
The InChIKey is FSOCSSKRKSRWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO4/c1-7-4-8(12)2-3-9(7)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid?
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid has a molecular weight of 349.12 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).