2-(5-chloro-2-iodo-4-methylanilino)acetic acid

C9H9ClINO2 — CID 170069943

IUPAC2-(5-chloro-2-iodo-4-methylanilino)acetic acid
SMILESCc1cc(I)c(NCC(=O)O)cc1Cl
InChIInChI=1S/C9H9ClINO2/c1-5-2-7(11)8(3-6(5)10)12-4-9(13)14/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyHNIHLUTUPKNQIQ-UHFFFAOYSA-N
MW325.53 g/mol
LogP2.75
Rot. Bonds3

About 2-(5-chloro-2-iodo-4-methylanilino)acetic acid

2-(5-chloro-2-iodo-4-methylanilino)acetic acid (PubChem CID 170069943) has the molecular formula C9H9ClINO2 and a molecular weight of 325.53 g/mol. Its IUPAC name is 2-(5-chloro-2-iodo-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-iodo-4-methylanilino)acetic acid
PubChem CID170069943
Molecular FormulaC9H9ClINO2
Molecular Weight325.53 g/mol
Exact Mass324.94
IUPAC Name2-(5-chloro-2-iodo-4-methylanilino)acetic acid
SMILESCc1cc(I)c(NCC(=O)O)cc1Cl
InChIInChI=1S/C9H9ClINO2/c1-5-2-7(11)8(3-6(5)10)12-4-9(13)14/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyHNIHLUTUPKNQIQ-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-iodo-4-methylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
CID 131846229
sodium;2-(4-chloro-5-methyl-2-nitroanilino)acetic acid;hydride
CID 173276187
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951
4-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726866
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-[[2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 104724803
tert-butyl 2-(2-bromo-5-chloro-4-methylanilino)acetate
CID 113445471

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-iodo-4-methylanilino)acetic acid?
The IUPAC name of 2-(5-chloro-2-iodo-4-methylanilino)acetic acid (CID 170069943) is 2-(5-chloro-2-iodo-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-iodo-4-methylanilino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-iodo-4-methylanilino)acetic acid is Cc1cc(I)c(NCC(=O)O)cc1Cl.
What is the InChIKey of 2-(5-chloro-2-iodo-4-methylanilino)acetic acid?
The InChIKey is HNIHLUTUPKNQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClINO2/c1-5-2-7(11)8(3-6(5)10)12-4-9(13)14/h2-3,12H,4H2,1H3,(H,13,14).
What are the key properties of 2-(5-chloro-2-iodo-4-methylanilino)acetic acid?
2-(5-chloro-2-iodo-4-methylanilino)acetic acid has a molecular weight of 325.53 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-iodo-4-methylanilino)acetic acid is sourced from PubChem (CID 170069943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).