2,3-bis[(2-iodoacetyl)amino]benzoic acid

C11H10I2N2O4 — CID 18363669

IUPAC2,3-bis[(2-iodoacetyl)amino]benzoic acid
SMILESO=C(CI)Nc1cccc(C(=O)O)c1NC(=O)CI
InChIInChI=1S/C11H10I2N2O4/c12-4-8(16)14-7-3-1-2-6(11(18)19)10(7)15-9(17)5-13/h1-3H,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWAAPNGBXPXERJF-UHFFFAOYSA-N
MW488.02 g/mol
LogP2.13
Rot. Bonds5

About 2,3-bis[(2-iodoacetyl)amino]benzoic acid

2,3-bis[(2-iodoacetyl)amino]benzoic acid (PubChem CID 18363669) has the molecular formula C11H10I2N2O4 and a molecular weight of 488.02 g/mol. Its IUPAC name is 2,3-bis[(2-iodoacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2,3-bis[(2-iodoacetyl)amino]benzoic acid
PubChem CID18363669
Molecular FormulaC11H10I2N2O4
Molecular Weight488.02 g/mol
Exact Mass487.87
IUPAC Name2,3-bis[(2-iodoacetyl)amino]benzoic acid
SMILESO=C(CI)Nc1cccc(C(=O)O)c1NC(=O)CI
InChIInChI=1S/C11H10I2N2O4/c12-4-8(16)14-7-3-1-2-6(11(18)19)10(7)15-9(17)5-13/h1-3H,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWAAPNGBXPXERJF-UHFFFAOYSA-N
XLogP2.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.02
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(tetradecanoylamino)benzoic acid
CID 154111832
2-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid
CID 21152114
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-(3-carboxypropanoylamino)-3-chlorobenzoic acid
CID 110465790
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2-iodoacetyl)amino]benzoic acid?
The IUPAC name of 2,3-bis[(2-iodoacetyl)amino]benzoic acid (CID 18363669) is 2,3-bis[(2-iodoacetyl)amino]benzoic acid.
What is the SMILES notation for 2,3-bis[(2-iodoacetyl)amino]benzoic acid?
The canonical SMILES for 2,3-bis[(2-iodoacetyl)amino]benzoic acid is O=C(CI)Nc1cccc(C(=O)O)c1NC(=O)CI.
What is the InChIKey of 2,3-bis[(2-iodoacetyl)amino]benzoic acid?
The InChIKey is WAAPNGBXPXERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10I2N2O4/c12-4-8(16)14-7-3-1-2-6(11(18)19)10(7)15-9(17)5-13/h1-3H,4-5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2,3-bis[(2-iodoacetyl)amino]benzoic acid?
2,3-bis[(2-iodoacetyl)amino]benzoic acid has a molecular weight of 488.02 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2-iodoacetyl)amino]benzoic acid is sourced from PubChem (CID 18363669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).