(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione

C18H17ClN2O2 — CID 98187931

IUPAC(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1C
InChIInChI=1S/C18H17ClN2O2/c1-11-6-5-9-16(12(11)2)21-17(22)10-15(18(21)23)20-14-8-4-3-7-13(14)19/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1
InChIKeyPDMMFBXESZTDAL-OAHLLOKOSA-N
MW328.80 g/mol
LogP3.70
Rot. Bonds3

About (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione

(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 98187931) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID98187931
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1C
InChIInChI=1S/C18H17ClN2O2/c1-11-6-5-9-16(12(11)2)21-17(22)10-15(18(21)23)20-14-8-4-3-7-13(14)19/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1
InChIKeyPDMMFBXESZTDAL-OAHLLOKOSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
(3S)-1-(2,3-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98187918
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864
3-[3-(2-chloroanilino)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 43844287
(3S)-3-(2,3-dichloroanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 51860053
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 98188346
3-(cyclopropylamino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670678

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione (CID 98187931) is (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1C.
What is the InChIKey of (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is PDMMFBXESZTDAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-6-5-9-16(12(11)2)21-17(22)10-15(18(21)23)20-14-8-4-3-7-13(14)19/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 328.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98187931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).