1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide

C19H27FN4O3 — CID 131942886

About 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 131942886) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 131942886
• Molecular Formula: C19H27FN4O3
• Molecular Weight: 378.45 g/mol
• Exact Mass: 378.21
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)CCNC(=O)C2CC(=O)N(CCN(C)C)C2)ccc1F
• InChI: InChI=1S/C19H27FN4O3/c1-13-10-15(4-5-16(13)20)22-17(25)6-7-21-19(27)14-11-18(26)24(12-14)9-8-23(2)3/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,21,27)(H,22,25)
• InChIKey: DXDVQUFPOVZGCR-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.45
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide (CID 131942886) is 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)CCNC(=O)C2CC(=O)N(CCN(C)C)C2)ccc1F.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is DXDVQUFPOVZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-13-10-15(4-5-16(13)20)22-17(25)6-7-21-19(27)14-11-18(26)24(12-14)9-8-23(2)3/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,21,27)(H,22,25).

What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide?

1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-N-[3-(4-fluoro-3-methylanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131942886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).