4-(4-iodoanilino)-4-oxobutanoic acid

C10H10INO3 — CID 684076

IUPAC4-(4-iodoanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C10H10INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyUEWAGINHLGZFAM-UHFFFAOYSA-N
MW319.10 g/mol
LogP2.09
Rot. Bonds4

About 4-(4-iodoanilino)-4-oxobutanoic acid

4-(4-iodoanilino)-4-oxobutanoic acid (PubChem CID 684076) has the molecular formula C10H10INO3 and a molecular weight of 319.10 g/mol. Its IUPAC name is 4-(4-iodoanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-iodoanilino)-4-oxobutanoic acid
PubChem CID684076
Molecular FormulaC10H10INO3
Molecular Weight319.10 g/mol
Exact Mass318.97
IUPAC Name4-(4-iodoanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C10H10INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyUEWAGINHLGZFAM-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 52.09
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

N-(4-Iodophenyl)acetamide
CID 12147
Succinanilic acid
CID 7598
4'-Bromosuccinanilic acid
CID 2828913
2'-Iodoacetanilide
CID 140559
4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid
CID 776847
4-(3-Ethylanilino)-4-oxobutanoic acid
CID 888006
4'-Chlorosuccinanilic acid
CID 223382
Glutaranilic acid
CID 223386
4-Oxo-4-(p-tolylamino)butanoic acid
CID 675566
N-(O-Tolyl)succinamic acid
CID 693363
4-[(3-Chlorophenyl)amino]-4-oxobutanoic acid
CID 749489
3'-Iodoacetanilide
CID 87971

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodoanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(4-iodoanilino)-4-oxobutanoic acid (CID 684076) is 4-(4-iodoanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-iodoanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-iodoanilino)-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodoanilino)-4-oxobutanoic acid?
The InChIKey is UEWAGINHLGZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(4-iodoanilino)-4-oxobutanoic acid?
4-(4-iodoanilino)-4-oxobutanoic acid has a molecular weight of 319.10 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodoanilino)-4-oxobutanoic acid is sourced from PubChem (CID 684076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).