2-(2,4,6-trichloroanilino)acetic acid

C8H6Cl3NO2 — CID 28992701

IUPAC2-(2,4,6-trichloroanilino)acetic acid
SMILESO=C(O)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO2/c9-4-1-5(10)8(6(11)2-4)12-3-7(13)14/h1-2,12H,3H2,(H,13,14)
InChIKeyCYFVQPCPIRNHQZ-UHFFFAOYSA-N
MW254.50 g/mol
LogP3.14
Rot. Bonds3

About 2-(2,4,6-trichloroanilino)acetic acid

2-(2,4,6-trichloroanilino)acetic acid (PubChem CID 28992701) has the molecular formula C8H6Cl3NO2 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2-(2,4,6-trichloroanilino)acetic acid.

Molecular Properties

Compound Name2-(2,4,6-trichloroanilino)acetic acid
PubChem CID28992701
Molecular FormulaC8H6Cl3NO2
Molecular Weight254.50 g/mol
Exact Mass252.95
IUPAC Name2-(2,4,6-trichloroanilino)acetic acid
SMILESO=C(O)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO2/c9-4-1-5(10)8(6(11)2-4)12-3-7(13)14/h1-2,12H,3H2,(H,13,14)
InChIKeyCYFVQPCPIRNHQZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4,6-trichloroanilino)methylsulfanyl]acetic acid
CID 134117053
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
2-(carboxymethylamino)-3,4,6-trichlorobenzoic acid
CID 165355288
N-(4-fluorophenyl)-2-(2,4,6-trichloroanilino)acetamide
CID 28992739
2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
CID 63646935
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-acetamido-3-(2,4,6-trichloroanilino)propanoic acid
CID 64583059
methyl 2,2-dimethyl-3-(2,4,6-trichloroanilino)propanoate
CID 79623311
3-[(2,4,6-trichloroanilino)methyl]benzoic acid
CID 103236893
2-[(3,5-dichloro-2-hydroxyphenyl)sulfanylamino]acetic acid
CID 142012463
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichloroanilino)acetic acid?
The IUPAC name of 2-(2,4,6-trichloroanilino)acetic acid (CID 28992701) is 2-(2,4,6-trichloroanilino)acetic acid.
What is the SMILES notation for 2-(2,4,6-trichloroanilino)acetic acid?
The canonical SMILES for 2-(2,4,6-trichloroanilino)acetic acid is O=C(O)CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,6-trichloroanilino)acetic acid?
The InChIKey is CYFVQPCPIRNHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO2/c9-4-1-5(10)8(6(11)2-4)12-3-7(13)14/h1-2,12H,3H2,(H,13,14).
What are the key properties of 2-(2,4,6-trichloroanilino)acetic acid?
2-(2,4,6-trichloroanilino)acetic acid has a molecular weight of 254.50 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichloroanilino)acetic acid is sourced from PubChem (CID 28992701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).