5-iodo-2-(methylcarbamoylamino)benzoic acid

C9H9IN2O3 — CID 63111629

IUPAC5-iodo-2-(methylcarbamoylamino)benzoic acid
SMILESCNC(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C9H9IN2O3/c1-11-9(15)12-7-3-2-5(10)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)(H2,11,12,15)
InChIKeyDDKYPGWMCLZQSV-UHFFFAOYSA-N
MW320.09 g/mol
LogP1.74
Rot. Bonds2

About 5-iodo-2-(methylcarbamoylamino)benzoic acid

5-iodo-2-(methylcarbamoylamino)benzoic acid (PubChem CID 63111629) has the molecular formula C9H9IN2O3 and a molecular weight of 320.09 g/mol. Its IUPAC name is 5-iodo-2-(methylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name5-iodo-2-(methylcarbamoylamino)benzoic acid
PubChem CID63111629
Molecular FormulaC9H9IN2O3
Molecular Weight320.09 g/mol
Exact Mass319.97
IUPAC Name5-iodo-2-(methylcarbamoylamino)benzoic acid
SMILESCNC(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C9H9IN2O3/c1-11-9(15)12-7-3-2-5(10)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)(H2,11,12,15)
InChIKeyDDKYPGWMCLZQSV-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(methylcarbamoylamino)benzoic acid 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

5-iodo-2-(propylcarbamoylamino)benzoic acid
CID 63111324
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
2-(2,2-dimethylpropylcarbamoylamino)-5-iodobenzoic acid
CID 63111409
2-(butan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111617
2-(2-acetamidoethylcarbamoylamino)-5-iodobenzoic acid
CID 63111465
5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63111670
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-iodobenzoic acid
CID 103929880
5-iodo-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687267
5-iodo-2-[2-(methylsulfamoyl)ethylcarbamoylamino]benzoic acid
CID 106340545
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
2-(2-chloroprop-2-enylcarbamoylamino)-5-iodobenzoic acid
CID 113464792
2-(2,2-difluoroethylcarbamoylamino)-5-iodobenzoic acid
CID 115408168

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(methylcarbamoylamino)benzoic acid?
The IUPAC name of 5-iodo-2-(methylcarbamoylamino)benzoic acid (CID 63111629) is 5-iodo-2-(methylcarbamoylamino)benzoic acid.
What is the SMILES notation for 5-iodo-2-(methylcarbamoylamino)benzoic acid?
The canonical SMILES for 5-iodo-2-(methylcarbamoylamino)benzoic acid is CNC(=O)Nc1ccc(I)cc1C(=O)O.
What is the InChIKey of 5-iodo-2-(methylcarbamoylamino)benzoic acid?
The InChIKey is DDKYPGWMCLZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O3/c1-11-9(15)12-7-3-2-5(10)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 5-iodo-2-(methylcarbamoylamino)benzoic acid?
5-iodo-2-(methylcarbamoylamino)benzoic acid has a molecular weight of 320.09 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(methylcarbamoylamino)benzoic acid is sourced from PubChem (CID 63111629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).