methyl 3-[(2-iodophenyl)carbamoylamino]benzoate

C15H13IN2O3 — CID 108869084

IUPACmethyl 3-[(2-iodophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H13IN2O3/c1-21-14(19)10-5-4-6-11(9-10)17-15(20)18-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,17,18,20)
InChIKeyKIFITLMBNKADMI-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.72
Rot. Bonds3

About methyl 3-[(2-iodophenyl)carbamoylamino]benzoate

methyl 3-[(2-iodophenyl)carbamoylamino]benzoate (PubChem CID 108869084) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is methyl 3-[(2-iodophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-iodophenyl)carbamoylamino]benzoate
PubChem CID108869084
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC Namemethyl 3-[(2-iodophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H13IN2O3/c1-21-14(19)10-5-4-6-11(9-10)17-15(20)18-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,17,18,20)
InChIKeyKIFITLMBNKADMI-UHFFFAOYSA-N
XLogP3.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-[(2-iodophenyl)carbamoylamino]benzoate 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

methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 3-[[2-(1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46384340
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-iodophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 3-[(2-iodophenyl)carbamoylamino]benzoate (CID 108869084) is methyl 3-[(2-iodophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[(2-iodophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 3-[(2-iodophenyl)carbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)Nc2ccccc2I)c1.
What is the InChIKey of methyl 3-[(2-iodophenyl)carbamoylamino]benzoate?
The InChIKey is KIFITLMBNKADMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c1-21-14(19)10-5-4-6-11(9-10)17-15(20)18-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,17,18,20).
What are the key properties of methyl 3-[(2-iodophenyl)carbamoylamino]benzoate?
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate has a molecular weight of 396.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-iodophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108869084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).