(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

C18H17FN2O2 — CID 98188016

IUPAC(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccccc2F)C1=O
InChIInChI=1S/C18H17FN2O2/c1-11-6-5-7-12(2)17(11)21-16(22)10-15(18(21)23)20-14-9-4-3-8-13(14)19/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1
InChIKeyBTPSXGIDCYZGAY-OAHLLOKOSA-N
MW312.34 g/mol
LogP3.19
Rot. Bonds3

About (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 98188016) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID98188016
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccccc2F)C1=O
InChIInChI=1S/C18H17FN2O2/c1-11-6-5-7-12(2)17(11)21-16(22)10-15(18(21)23)20-14-9-4-3-8-13(14)19/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1
InChIKeyBTPSXGIDCYZGAY-OAHLLOKOSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.19
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

(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860019
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
3-(2-fluoroanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844737
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 98188014
3-(cyclopropylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670680
(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 98368892

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (CID 98188016) is (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccccc2F)C1=O.
What is the InChIKey of (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is BTPSXGIDCYZGAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-6-5-7-12(2)17(11)21-16(22)10-15(18(21)23)20-14-9-4-3-8-13(14)19/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 312.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).