5-benzamido-2-iodobenzoic acid

C14H10INO3 — CID 2974228

IUPAC5-benzamido-2-iodobenzoic acid
SMILESO=C(Nc1ccc(I)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C14H10INO3/c15-12-7-6-10(8-11(12)14(18)19)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)
InChIKeyXOTYTDMGTNREAR-UHFFFAOYSA-N
MW367.14 g/mol
LogP3.24
Rot. Bonds3

About 5-benzamido-2-iodobenzoic acid

5-benzamido-2-iodobenzoic acid (PubChem CID 2974228) has the molecular formula C14H10INO3 and a molecular weight of 367.14 g/mol. Its IUPAC name is 5-benzamido-2-iodobenzoic acid.

Molecular Properties

Compound Name5-benzamido-2-iodobenzoic acid
PubChem CID2974228
Molecular FormulaC14H10INO3
Molecular Weight367.14 g/mol
Exact Mass366.97
IUPAC Name5-benzamido-2-iodobenzoic acid
SMILESO=C(Nc1ccc(I)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C14H10INO3/c15-12-7-6-10(8-11(12)14(18)19)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)
InChIKeyXOTYTDMGTNREAR-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-iodobenzoic acid?
The IUPAC name of 5-benzamido-2-iodobenzoic acid (CID 2974228) is 5-benzamido-2-iodobenzoic acid.
What is the SMILES notation for 5-benzamido-2-iodobenzoic acid?
The canonical SMILES for 5-benzamido-2-iodobenzoic acid is O=C(Nc1ccc(I)c(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 5-benzamido-2-iodobenzoic acid?
The InChIKey is XOTYTDMGTNREAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO3/c15-12-7-6-10(8-11(12)14(18)19)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 5-benzamido-2-iodobenzoic acid?
5-benzamido-2-iodobenzoic acid has a molecular weight of 367.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-iodobenzoic acid is sourced from PubChem (CID 2974228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).