4-[(2-iodobenzoyl)amino]butanoic acid

C11H12INO3 — CID 16775783

IUPAC4-[(2-iodobenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1I
InChIInChI=1S/C11H12INO3/c12-9-5-2-1-4-8(9)11(16)13-7-3-6-10(14)15/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)
InChIKeyXFXWJUXHLPVDJO-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.89
Rot. Bonds5

About 4-[(2-iodobenzoyl)amino]butanoic acid

4-[(2-iodobenzoyl)amino]butanoic acid (PubChem CID 16775783) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 4-[(2-iodobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-iodobenzoyl)amino]butanoic acid
PubChem CID16775783
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name4-[(2-iodobenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1I
InChIInChI=1S/C11H12INO3/c12-9-5-2-1-4-8(9)11(16)13-7-3-6-10(14)15/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)
InChIKeyXFXWJUXHLPVDJO-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodobenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-iodobenzoyl)amino]butanoic acid (CID 16775783) is 4-[(2-iodobenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-iodobenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-iodobenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccccc1I.
What is the InChIKey of 4-[(2-iodobenzoyl)amino]butanoic acid?
The InChIKey is XFXWJUXHLPVDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c12-9-5-2-1-4-8(9)11(16)13-7-3-6-10(14)15/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-iodobenzoyl)amino]butanoic acid?
4-[(2-iodobenzoyl)amino]butanoic acid has a molecular weight of 333.13 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodobenzoyl)amino]butanoic acid is sourced from PubChem (CID 16775783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).