1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid

C14H16Cl2N2O3 — CID 102785249

IUPAC1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1C(=O)O
InChIInChI=1S/C14H16Cl2N2O3/c1-8-5-6-18(13(8)14(20)21)7-11(19)17-10-4-2-3-9(15)12(10)16/h2-4,8,13H,5-7H2,1H3,(H,17,19)(H,20,21)
InChIKeyKCAKWWUOIICLMI-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785249) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785249
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1C(=O)O
InChIInChI=1S/C14H16Cl2N2O3/c1-8-5-6-18(13(8)14(20)21)7-11(19)17-10-4-2-3-9(15)12(10)16/h2-4,8,13H,5-7H2,1H3,(H,17,19)(H,20,21)
InChIKeyKCAKWWUOIICLMI-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784677
1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785701
1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785737
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119924970
N-(2,3-dichlorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768892
N-(2,3-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466913
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785590
1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785896
N-(2,3-dichlorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 51140712
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785249) is 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1C(=O)O.
What is the InChIKey of 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is KCAKWWUOIICLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8-5-6-18(13(8)14(20)21)7-11(19)17-10-4-2-3-9(15)12(10)16/h2-4,8,13H,5-7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 331.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).