2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid

C14H11IN2O4 — CID 61186270

IUPAC2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)Nc1ccccc1I
InChIInChI=1S/C14H11IN2O4/c15-10-3-1-2-4-11(10)17-14(21)16-8-5-6-9(13(19)20)12(18)7-8/h1-7,18H,(H,19,20)(H2,16,17,21)
InChIKeyPFJWXAVWGJTDPA-UHFFFAOYSA-N
MW398.16 g/mol
LogP3.34
Rot. Bonds3

About 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid

2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid (PubChem CID 61186270) has the molecular formula C14H11IN2O4 and a molecular weight of 398.16 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
PubChem CID61186270
Molecular FormulaC14H11IN2O4
Molecular Weight398.16 g/mol
Exact Mass397.98
IUPAC Name2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)Nc1ccccc1I
InChIInChI=1S/C14H11IN2O4/c15-10-3-1-2-4-11(10)17-14(21)16-8-5-6-9(13(19)20)12(18)7-8/h1-7,18H,(H,19,20)(H2,16,17,21)
InChIKeyPFJWXAVWGJTDPA-UHFFFAOYSA-N
XLogP3.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
CID 670881
4-benzamidosalicylic acid, calcium salt
CID 126959845
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 61185205
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 55179434
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid (CID 61186270) is 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)Nc1ccccc1I.
What is the InChIKey of 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid?
The InChIKey is PFJWXAVWGJTDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O4/c15-10-3-1-2-4-11(10)17-14(21)16-8-5-6-9(13(19)20)12(18)7-8/h1-7,18H,(H,19,20)(H2,16,17,21).
What are the key properties of 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid?
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid has a molecular weight of 398.16 g/mol, XLogP of 3.34, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61186270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).