deuterio 2-(2,3-dimethylanilino)benzoate

C15H15NO2 — CID 175757896

IUPACdeuterio 2-(2,3-dimethylanilino)benzoate
SMILES[2H]OC(=O)c1ccccc1Nc1cccc(C)c1C
InChIInChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)/i/hD
InChIKeyHYYBABOKPJLUIN-DYCDLGHISA-N
MW242.30 g/mol
LogP3.75
Rot. Bonds3

About deuterio 2-(2,3-dimethylanilino)benzoate

deuterio 2-(2,3-dimethylanilino)benzoate (PubChem CID 175757896) has the molecular formula C15H15NO2 and a molecular weight of 242.30 g/mol. Its IUPAC name is deuterio 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Namedeuterio 2-(2,3-dimethylanilino)benzoate
PubChem CID175757896
Molecular FormulaC15H15NO2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Namedeuterio 2-(2,3-dimethylanilino)benzoate
SMILES[2H]OC(=O)c1ccccc1Nc1cccc(C)c1C
InChIInChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)/i/hD
InChIKeyHYYBABOKPJLUIN-DYCDLGHISA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10739949
CID 10739949
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
CID 163528026
bis(2-(2,3-dimethylanilino)benzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139205083
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
CID 610738
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
CID 18207871
2,3-dimethyl-N-phenylaniline
CID 14952469
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27743019
2-[3-(iodomethyl)-2-methylanilino]benzoic acid
CID 129146645

Frequently Asked Questions

What is the IUPAC name of deuterio 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of deuterio 2-(2,3-dimethylanilino)benzoate (CID 175757896) is deuterio 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for deuterio 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for deuterio 2-(2,3-dimethylanilino)benzoate is [2H]OC(=O)c1ccccc1Nc1cccc(C)c1C.
What is the InChIKey of deuterio 2-(2,3-dimethylanilino)benzoate?
The InChIKey is HYYBABOKPJLUIN-DYCDLGHISA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)/i/hD.
What are the key properties of deuterio 2-(2,3-dimethylanilino)benzoate?
deuterio 2-(2,3-dimethylanilino)benzoate has a molecular weight of 242.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 175757896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).