2-ethyl-3-iodo-4-methyl-N-oxobenzamide

C10H10INO2 — CID 88587754

IUPAC2-ethyl-3-iodo-4-methyl-N-oxobenzamide
SMILESCCc1c(C(=O)N=O)ccc(C)c1I
InChIInChI=1S/C10H10INO2/c1-3-7-8(10(13)12-14)5-4-6(2)9(7)11/h4-5H,3H2,1-2H3
InChIKeyVMPPSLPHRJWYNA-UHFFFAOYSA-N
MW303.10 g/mol
LogP3.07
Rot. Bonds2

About 2-ethyl-3-iodo-4-methyl-N-oxobenzamide

2-ethyl-3-iodo-4-methyl-N-oxobenzamide (PubChem CID 88587754) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 2-ethyl-3-iodo-4-methyl-N-oxobenzamide.

Molecular Properties

Compound Name2-ethyl-3-iodo-4-methyl-N-oxobenzamide
PubChem CID88587754
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name2-ethyl-3-iodo-4-methyl-N-oxobenzamide
SMILESCCc1c(C(=O)N=O)ccc(C)c1I
InChIInChI=1S/C10H10INO2/c1-3-7-8(10(13)12-14)5-4-6(2)9(7)11/h4-5H,3H2,1-2H3
InChIKeyVMPPSLPHRJWYNA-UHFFFAOYSA-N
XLogP3.07
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-iodo-4-methyl-N-oxobenzamide 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

3-ethyl-2,4-dimethylbenzoic acid
CID 70082464
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
2-bromo-3-ethyl-4-methylbenzoic acid
CID 123294230
2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
CID 150018271
2-ethyl-4-methyl-3-methylsulfonylbenzoic acid
CID 125468180
3-amino-2-ethyl-4-iodobenzoic acid
CID 69226791
3-chloro-2-iodo-4-methylbenzoic acid
CID 14885550
1-(2-fluoro-3-iodo-4-methylphenyl)ethanone
CID 171022516
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
2-ethyl-3-iodobenzoic acid
CID 22121847
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-iodo-4-methyl-N-oxobenzamide?
The IUPAC name of 2-ethyl-3-iodo-4-methyl-N-oxobenzamide (CID 88587754) is 2-ethyl-3-iodo-4-methyl-N-oxobenzamide.
What is the SMILES notation for 2-ethyl-3-iodo-4-methyl-N-oxobenzamide?
The canonical SMILES for 2-ethyl-3-iodo-4-methyl-N-oxobenzamide is CCc1c(C(=O)N=O)ccc(C)c1I.
What is the InChIKey of 2-ethyl-3-iodo-4-methyl-N-oxobenzamide?
The InChIKey is VMPPSLPHRJWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-3-7-8(10(13)12-14)5-4-6(2)9(7)11/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-iodo-4-methyl-N-oxobenzamide?
2-ethyl-3-iodo-4-methyl-N-oxobenzamide has a molecular weight of 303.10 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-iodo-4-methyl-N-oxobenzamide is sourced from PubChem (CID 88587754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).