2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid

C16H13Cl2NO4 — CID 19842359

IUPAC2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)OCC(=O)O)c1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-9-6-7-11(17)15(14(9)18)19-12-5-3-2-4-10(12)16(22)23-8-13(20)21/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyMHRBMEZFDFPDCQ-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.29
Rot. Bonds5

About 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid

2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid (PubChem CID 19842359) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
PubChem CID19842359
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)OCC(=O)O)c1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-9-6-7-11(17)15(14(9)18)19-12-5-3-2-4-10(12)16(22)23-8-13(20)21/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyMHRBMEZFDFPDCQ-UHFFFAOYSA-N
XLogP4.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70150385
6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
butane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70500245
acetic acid;2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 24752851
2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
CID 57034426
ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate;ethyl carbamate;prop-2-enoic acid
CID 70153226
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
bis(2-(2,6-dichloro-3-methylanilino)benzoic acid);4-pyridin-4-ylpyridine
CID 139145966
ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate;thiadiazole
CID 67561255
N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine
CID 86744462
CID 70287777
CID 70287777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid?
The IUPAC name of 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid (CID 19842359) is 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid.
What is the SMILES notation for 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid?
The canonical SMILES for 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid is Cc1ccc(Cl)c(Nc2ccccc2C(=O)OCC(=O)O)c1Cl.
What is the InChIKey of 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid?
The InChIKey is MHRBMEZFDFPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-9-6-7-11(17)15(14(9)18)19-12-5-3-2-4-10(12)16(22)23-8-13(20)21/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid?
2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid has a molecular weight of 354.19 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid is sourced from PubChem (CID 19842359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).