2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide

C22H27FN4O4 — CID 42437443

IUPAC2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESC[C@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C22H27FN4O4/c1-15(18-9-12-31-24-18)26(4)19(28)13-22(16-7-5-6-8-17(16)23)14-20(29)27(21(22)30)11-10-25(2)3/h5-9,12,15H,10-11,13-14H2,1-4H3/t15-,22-/m1/s1
InChIKeyWQTQCAHZWXJGCE-IVZQSRNASA-N
MW430.48 g/mol
LogP1.98
Rot. Bonds8

About 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide

2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide (PubChem CID 42437443) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide
PubChem CID42437443
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC Name2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESC[C@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C22H27FN4O4/c1-15(18-9-12-31-24-18)26(4)19(28)13-22(16-7-5-6-8-17(16)23)14-20(29)27(21(22)30)11-10-25(2)3/h5-9,12,15H,10-11,13-14H2,1-4H3/t15-,22-/m1/s1
InChIKeyWQTQCAHZWXJGCE-IVZQSRNASA-N
XLogP1.98
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 42342647
(3S)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 125156885
2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42406114
2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 45174442
(3S)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 29084538
2-[(3S)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42343610
2-[(3S)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42343612
2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 126462518
(3S)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 42277059
2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42167233
2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide
CID 45173788
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42319712

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide (CID 42437443) is 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide is C[C@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCN(C)C)C1=O.
What is the InChIKey of 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The InChIKey is WQTQCAHZWXJGCE-IVZQSRNASA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-15(18-9-12-31-24-18)26(4)19(28)13-22(16-7-5-6-8-17(16)23)14-20(29)27(21(22)30)11-10-25(2)3/h5-9,12,15H,10-11,13-14H2,1-4H3/t15-,22-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 42437443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).