methyl 2-[(4-iodobenzoyl)-methylamino]acetate

C11H12INO3 — CID 43407349

IUPACmethyl 2-[(4-iodobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C11H12INO3/c1-13(7-10(14)16-2)11(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyWHTZNPGNLACZPU-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.54
Rot. Bonds3

About methyl 2-[(4-iodobenzoyl)-methylamino]acetate

methyl 2-[(4-iodobenzoyl)-methylamino]acetate (PubChem CID 43407349) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is methyl 2-[(4-iodobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-iodobenzoyl)-methylamino]acetate
PubChem CID43407349
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Namemethyl 2-[(4-iodobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C11H12INO3/c1-13(7-10(14)16-2)11(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyWHTZNPGNLACZPU-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(4-iodobenzoyl)-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552
methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-iodobenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-iodobenzoyl)-methylamino]acetate (CID 43407349) is methyl 2-[(4-iodobenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-iodobenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-iodobenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of methyl 2-[(4-iodobenzoyl)-methylamino]acetate?
The InChIKey is WHTZNPGNLACZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c1-13(7-10(14)16-2)11(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[(4-iodobenzoyl)-methylamino]acetate?
methyl 2-[(4-iodobenzoyl)-methylamino]acetate has a molecular weight of 333.13 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-iodobenzoyl)-methylamino]acetate is sourced from PubChem (CID 43407349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).