ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate

C12H14INO3 — CID 47329540

IUPACethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccc(C)c1I
InChIInChI=1S/C12H14INO3/c1-3-17-10(15)7-14-12(16)9-6-4-5-8(2)11(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyFJPXPCDZYWCYKU-UHFFFAOYSA-N
MW347.15 g/mol
LogP1.89
Rot. Bonds4

About ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate

ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate (PubChem CID 47329540) has the molecular formula C12H14INO3 and a molecular weight of 347.15 g/mol. Its IUPAC name is ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
PubChem CID47329540
Molecular FormulaC12H14INO3
Molecular Weight347.15 g/mol
Exact Mass347.00
IUPAC Nameethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccc(C)c1I
InChIInChI=1S/C12H14INO3/c1-3-17-10(15)7-14-12(16)9-6-4-5-8(2)11(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyFJPXPCDZYWCYKU-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2-iodo-3-methylbenzoyl)amino]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

ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate (CID 47329540) is ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cccc(C)c1I.
What is the InChIKey of ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate?
The InChIKey is FJPXPCDZYWCYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO3/c1-3-17-10(15)7-14-12(16)9-6-4-5-8(2)11(9)13/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate?
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate has a molecular weight of 347.15 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 47329540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).