2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid

C14H11Cl2NO2 — CID 12877529

IUPAC2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
SMILES[2H]c1c([2H])c([2H])c(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1[2H]
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D
InChIKeyDCOPUUMXTXDBNB-SCFZSLNVSA-N
MW300.18 g/mol
LogP4.36
Rot. Bonds4

About 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid

2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid (PubChem CID 12877529) has the molecular formula C14H11Cl2NO2 and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
PubChem CID12877529
Molecular FormulaC14H11Cl2NO2
Molecular Weight300.18 g/mol
Exact Mass299.04
IUPAC Name2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
SMILES[2H]c1c([2H])c([2H])c(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1[2H]
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D
InChIKeyDCOPUUMXTXDBNB-SCFZSLNVSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 54.36
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
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081
2-[2-(2-chloro-6-fluoroanilino)-3,4-dideuterio-5-methylphenyl]-2,2-dideuterioacetic acid
CID 46214681
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
CID 87829814
CID 87829814
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 70446369
2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid
CID 129452468
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
CID 174752797

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid?
The IUPAC name of 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid (CID 12877529) is 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid is [2H]c1c([2H])c([2H])c(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1[2H].
What is the InChIKey of 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid?
The InChIKey is DCOPUUMXTXDBNB-SCFZSLNVSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D.
What are the key properties of 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid?
2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid has a molecular weight of 300.18 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid is sourced from PubChem (CID 12877529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).