2,3-dianilino-5,6-dimethylterephthalic acid

C22H20N2O4 — CID 19027235

IUPAC2,3-dianilino-5,6-dimethylterephthalic acid
SMILESCc1c(C)c(C(=O)O)c(Nc2ccccc2)c(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C22H20N2O4/c1-13-14(2)18(22(27)28)20(24-16-11-7-4-8-12-16)19(17(13)21(25)26)23-15-9-5-3-6-10-15/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
InChIKeyOERSSJHLKKAUHT-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.19
Rot. Bonds6

About 2,3-dianilino-5,6-dimethylterephthalic acid

2,3-dianilino-5,6-dimethylterephthalic acid (PubChem CID 19027235) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2,3-dianilino-5,6-dimethylterephthalic acid.

Molecular Properties

Compound Name2,3-dianilino-5,6-dimethylterephthalic acid
PubChem CID19027235
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2,3-dianilino-5,6-dimethylterephthalic acid
SMILESCc1c(C)c(C(=O)O)c(Nc2ccccc2)c(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C22H20N2O4/c1-13-14(2)18(22(27)28)20(24-16-11-7-4-8-12-16)19(17(13)21(25)26)23-15-9-5-3-6-10-15/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
InChIKeyOERSSJHLKKAUHT-UHFFFAOYSA-N
XLogP5.19
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-3,5-dimethylterephthalic acid
CID 88801494
4,5-dianilino-3,6-difluorophthalic acid
CID 139627144
2,3-dimethylazulene-1-carboxylic acid
CID 54352550
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
2-anilino-6-hydroxybenzoic acid
CID 154369183
3-anilino-4-iodo-2-methylbenzamide
CID 139928039
2-anilino-3-chloronaphthalene-1-carboxylic acid
CID 57143139
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
2-amino-6-anilinobenzoic acid
CID 67684436
diethyl oxalate;N-phenylaniline
CID 174415380
1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone
CID 151659675

Frequently Asked Questions

What is the IUPAC name of 2,3-dianilino-5,6-dimethylterephthalic acid?
The IUPAC name of 2,3-dianilino-5,6-dimethylterephthalic acid (CID 19027235) is 2,3-dianilino-5,6-dimethylterephthalic acid.
What is the SMILES notation for 2,3-dianilino-5,6-dimethylterephthalic acid?
The canonical SMILES for 2,3-dianilino-5,6-dimethylterephthalic acid is Cc1c(C)c(C(=O)O)c(Nc2ccccc2)c(Nc2ccccc2)c1C(=O)O.
What is the InChIKey of 2,3-dianilino-5,6-dimethylterephthalic acid?
The InChIKey is OERSSJHLKKAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-14(2)18(22(27)28)20(24-16-11-7-4-8-12-16)19(17(13)21(25)26)23-15-9-5-3-6-10-15/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2,3-dianilino-5,6-dimethylterephthalic acid?
2,3-dianilino-5,6-dimethylterephthalic acid has a molecular weight of 376.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dianilino-5,6-dimethylterephthalic acid is sourced from PubChem (CID 19027235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).