2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid

C15H13Cl2NO3 — CID 14389786

IUPAC2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
SMILESCOc1cc(Cl)c(Nc2ccccc2CC(=O)O)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c1-21-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(19)20/h2-5,7-8,18H,6H2,1H3,(H,19,20)
InChIKeyQUCMNGZSCKYXDD-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.37
Rot. Bonds5

About 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid

2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid (PubChem CID 14389786) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
PubChem CID14389786
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
SMILESCOc1cc(Cl)c(Nc2ccccc2CC(=O)O)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c1-21-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(19)20/h2-5,7-8,18H,6H2,1H3,(H,19,20)
InChIKeyQUCMNGZSCKYXDD-UHFFFAOYSA-N
XLogP4.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2-[2-[2-(2,6-dichloro-4-sulfooxyanilino)phenyl]acetyl]oxyacetic acid
CID 154700133
2-[2-(3,4,5-trichloroanilino)phenyl]acetic acid
CID 18546366
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[2-[2,6-dichloro-4-[[(1-ethoxy-1-oxopropan-2-yl)oxy-phenoxyphosphoryl]methoxy]anilino]phenyl]acetic acid
CID 59810136
CID 87829814
CID 87829814
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
CID 174752797
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid (CID 14389786) is 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid is COc1cc(Cl)c(Nc2ccccc2CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid?
The InChIKey is QUCMNGZSCKYXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-21-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(19)20/h2-5,7-8,18H,6H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid?
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid has a molecular weight of 326.18 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid is sourced from PubChem (CID 14389786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).