5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

C11H11IN2O5 — CID 63111670

IUPAC5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C11H11IN2O5/c1-19-9(15)5-13-11(18)14-8-3-2-6(12)4-7(8)10(16)17/h2-4H,5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyYBSKNDCKUAVFHC-UHFFFAOYSA-N
MW378.12 g/mol
LogP1.28
Rot. Bonds4

About 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (PubChem CID 63111670) has the molecular formula C11H11IN2O5 and a molecular weight of 378.12 g/mol. Its IUPAC name is 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
PubChem CID63111670
Molecular FormulaC11H11IN2O5
Molecular Weight378.12 g/mol
Exact Mass377.97
IUPAC Name5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C11H11IN2O5/c1-19-9(15)5-13-11(18)14-8-3-2-6(12)4-7(8)10(16)17/h2-4H,5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyYBSKNDCKUAVFHC-UHFFFAOYSA-N
XLogP1.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.12
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropylcarbamoylamino)-5-iodobenzoic acid
CID 63111409
2-(2-chloroprop-2-enylcarbamoylamino)-5-iodobenzoic acid
CID 113464792
5-iodo-2-(propylcarbamoylamino)benzoic acid
CID 63111324
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
2-(2-acetamidoethylcarbamoylamino)-5-iodobenzoic acid
CID 63111465
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
2-(2,2-difluoroethylcarbamoylamino)-5-iodobenzoic acid
CID 115408168
5-iodo-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]benzoic acid
CID 63111990
5-iodo-2-(pent-3-ynylcarbamoylamino)benzoic acid
CID 116644702
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181802
5-iodo-2-[2-(methylsulfamoyl)ethylcarbamoylamino]benzoic acid
CID 106340545
2-(butan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111617

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The IUPAC name of 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (CID 63111670) is 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The canonical SMILES for 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is COC(=O)CNC(=O)Nc1ccc(I)cc1C(=O)O.
What is the InChIKey of 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The InChIKey is YBSKNDCKUAVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O5/c1-19-9(15)5-13-11(18)14-8-3-2-6(12)4-7(8)10(16)17/h2-4H,5H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid has a molecular weight of 378.12 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63111670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).