2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid

C15H13Cl2NO2 — CID 142968081

IUPAC2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
SMILESCc1cccc(Nc2c(Cl)cccc2Cl)c1CC(=O)O
InChIInChI=1S/C15H13Cl2NO2/c1-9-4-2-7-13(10(9)8-14(19)20)18-15-11(16)5-3-6-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyQCYATKPQAFLKKD-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.67
Rot. Bonds4

About 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid

2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid (PubChem CID 142968081) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
PubChem CID142968081
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
SMILESCc1cccc(Nc2c(Cl)cccc2Cl)c1CC(=O)O
InChIInChI=1S/C15H13Cl2NO2/c1-9-4-2-7-13(10(9)8-14(19)20)18-15-11(16)5-3-6-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyQCYATKPQAFLKKD-UHFFFAOYSA-N
XLogP4.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid
CID 23457167
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
CID 12877529
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
CID 174752797
CID 87829814
CID 87829814
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
4-(2,6-dichloroanilino)-3-methylbenzoic acid
CID 65498818
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
CID 57434772

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid (CID 142968081) is 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid is Cc1cccc(Nc2c(Cl)cccc2Cl)c1CC(=O)O.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid?
The InChIKey is QCYATKPQAFLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-4-2-7-13(10(9)8-14(19)20)18-15-11(16)5-3-6-12(15)17/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid?
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid has a molecular weight of 310.18 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid is sourced from PubChem (CID 142968081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).