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

C14H11Cl2NO2 — CID 3033

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IUPAC2-[2-(2,6-dichloroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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)
InChIKeyDCOPUUMXTXDBNB-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.36
Rot. Bonds4

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

2-[2-(2,6-dichloroanilino)phenyl]acetic acid (PubChem CID 3033) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid
PubChem CID3033
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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)
InChIKeyDCOPUUMXTXDBNB-UHFFFAOYSA-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 ≤ 500296.15
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Aceclofenac
CID 71771
Diclofenac sodium
CID 5018304
Lumiracoxib
CID 151166
4'-Hydroxydiclofenac
CID 116545
Diclofenac Potassium
CID 23667642
Arthrotec
CID 3032
Diclofenac Epolamine
CID 114753
2-Anilinophenylacetic acid
CID 854057
Diclofenac Diethylamine
CID 115087
8-Chloro-2-hydroxyquinoline-4-carboxylic acid
CID 670543
Diclofenac methyl ester
CID 519102
2-(2-(2-Chlorophenylamino)phenyl)acetic acid
CID 13752584

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid (CID 3033) is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid is O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid?
The InChIKey is DCOPUUMXTXDBNB-UHFFFAOYSA-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).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid?
2-[2-(2,6-dichloroanilino)phenyl]acetic acid has a molecular weight of 296.15 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-(2,6-dichloroanilino)phenyl]acetic acid is sourced from PubChem (CID 3033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).