3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid

C10H9FINO3 — CID 115596361

IUPAC3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C10H9FINO3/c11-6-1-2-7(8(12)5-6)10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15)
InChIKeyWAIVUVBPCJCOSD-UHFFFAOYSA-N
MW337.09 g/mol
LogP1.63
Rot. Bonds4

About 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid

3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid (PubChem CID 115596361) has the molecular formula C10H9FINO3 and a molecular weight of 337.09 g/mol. Its IUPAC name is 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
PubChem CID115596361
Molecular FormulaC10H9FINO3
Molecular Weight337.09 g/mol
Exact Mass336.96
IUPAC Name3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C10H9FINO3/c11-6-1-2-7(8(12)5-6)10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15)
InChIKeyWAIVUVBPCJCOSD-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.09
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(4-fluoro-2-iodobenzoyl)amino]butanoate
CID 39704784
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide
CID 55861961
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
3-[(2-iodo-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119177603
3-[[4-[(2,4-difluorobenzoyl)amino]benzoyl]amino]propanoic acid
CID 108808623
3-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 112739168
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]acetic acid
CID 119137083
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid (CID 115596361) is 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(F)cc1I.
What is the InChIKey of 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid?
The InChIKey is WAIVUVBPCJCOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINO3/c11-6-1-2-7(8(12)5-6)10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15).
What are the key properties of 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid?
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid has a molecular weight of 337.09 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid is sourced from PubChem (CID 115596361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).