5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid

C14H19IN2O4 — CID 82938292

IUPAC5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1ccc(I)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H19IN2O4/c1-9(2)17(6-7-21-3)14(20)16-12-5-4-10(15)8-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUYZLQWABOBSAHO-UHFFFAOYSA-N
MW406.22 g/mol
LogP2.88
Rot. Bonds6

About 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid

5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 82938292) has the molecular formula C14H19IN2O4 and a molecular weight of 406.22 g/mol. Its IUPAC name is 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID82938292
Molecular FormulaC14H19IN2O4
Molecular Weight406.22 g/mol
Exact Mass406.04
IUPAC Name5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1ccc(I)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H19IN2O4/c1-9(2)17(6-7-21-3)14(20)16-12-5-4-10(15)8-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUYZLQWABOBSAHO-UHFFFAOYSA-N
XLogP2.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939590
4-bromo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939588
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
5-iodo-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]benzoic acid
CID 63111990
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63111388
5-bromo-2-[[ethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62072477
2-(butan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111617
5-bromo-2-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073341
5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63111670
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-iodobenzoic acid
CID 82938911

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid (CID 82938292) is 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid is COCCN(C(=O)Nc1ccc(I)cc1C(=O)O)C(C)C.
What is the InChIKey of 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is UYZLQWABOBSAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O4/c1-9(2)17(6-7-21-3)14(20)16-12-5-4-10(15)8-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 406.22 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 82938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).