2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid

C10H11ClINO3 — CID 155215325

IUPAC2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid
SMILESCOc1cc(Cl)c(CI)cc1NCC(=O)O
InChIInChI=1S/C10H11ClINO3/c1-16-9-3-7(11)6(4-12)2-8(9)13-5-10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyOPHDFHDGYQZJIG-UHFFFAOYSA-N
MW355.56 g/mol
LogP2.78
Rot. Bonds5

About 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid

2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid (PubChem CID 155215325) has the molecular formula C10H11ClINO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid
PubChem CID155215325
Molecular FormulaC10H11ClINO3
Molecular Weight355.56 g/mol
Exact Mass354.95
IUPAC Name2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid
SMILESCOc1cc(Cl)c(CI)cc1NCC(=O)O
InChIInChI=1S/C10H11ClINO3/c1-16-9-3-7(11)6(4-12)2-8(9)13-5-10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyOPHDFHDGYQZJIG-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxy-4-methylsulfanylanilino)acetic acid
CID 115218012
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
CID 120606769
tert-butyl 4-[2-(4-chloro-5-ethyl-2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 123875989
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide
CID 31054798
4-[(2-chloro-4,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid
CID 54785552
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid?
The IUPAC name of 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid (CID 155215325) is 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid?
The canonical SMILES for 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid is COc1cc(Cl)c(CI)cc1NCC(=O)O.
What is the InChIKey of 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid?
The InChIKey is OPHDFHDGYQZJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO3/c1-16-9-3-7(11)6(4-12)2-8(9)13-5-10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid?
2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid has a molecular weight of 355.56 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid is sourced from PubChem (CID 155215325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).