2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid

C14H10INO4 — CID 28667790

IUPAC2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(I)cc1
InChIInChI=1S/C14H10INO4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11(14(19)20)12(17)7-10/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyFKWUWDMMVUSSLF-UHFFFAOYSA-N
MW383.14 g/mol
LogP2.95
Rot. Bonds3

About 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid

2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid (PubChem CID 28667790) has the molecular formula C14H10INO4 and a molecular weight of 383.14 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
PubChem CID28667790
Molecular FormulaC14H10INO4
Molecular Weight383.14 g/mol
Exact Mass382.97
IUPAC Name2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(I)cc1
InChIInChI=1S/C14H10INO4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11(14(19)20)12(17)7-10/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyFKWUWDMMVUSSLF-UHFFFAOYSA-N
XLogP2.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.14
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-[(4-iodobenzoyl)amino]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

calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid (CID 28667790) is 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(I)cc1.
What is the InChIKey of 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid?
The InChIKey is FKWUWDMMVUSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11(14(19)20)12(17)7-10/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid?
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid has a molecular weight of 383.14 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid is sourced from PubChem (CID 28667790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).