5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid

C11H11ClINO3 — CID 104573932

IUPAC5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H11ClINO3/c12-7-4-5-9(8(13)6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)
InChIKeyMDYJEURQGZIMIL-UHFFFAOYSA-N
MW367.57 g/mol
LogP3.14
Rot. Bonds5

About 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid

5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid (PubChem CID 104573932) has the molecular formula C11H11ClINO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
PubChem CID104573932
Molecular FormulaC11H11ClINO3
Molecular Weight367.57 g/mol
Exact Mass366.95
IUPAC Name5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H11ClINO3/c12-7-4-5-9(8(13)6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)
InChIKeyMDYJEURQGZIMIL-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 53.14
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

5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
5-[(4-chloro-2-iodophenyl)carbamoylamino]hexanoic acid
CID 107628473
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
3-[tert-butyl-[(4-chloro-2-iodophenyl)carbamoyl]amino]propanoic acid
CID 107628042
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid (CID 104573932) is 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid?
The InChIKey is MDYJEURQGZIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO3/c12-7-4-5-9(8(13)6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid?
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid has a molecular weight of 367.57 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid is sourced from PubChem (CID 104573932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).