1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide

C17H24FN3O2 — CID 86771874

IUPAC1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NC(C)C)C(c2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-4-19-17(23)21-9-14(12-6-5-7-13(18)8-12)15(10-21)16(22)20-11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyGOLUTVSSQHCOIU-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.10
Rot. Bonds4

About 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide

1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide (PubChem CID 86771874) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide
PubChem CID86771874
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NC(C)C)C(c2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-4-19-17(23)21-9-14(12-6-5-7-13(18)8-12)15(10-21)16(22)20-11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyGOLUTVSSQHCOIU-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide (CID 86771874) is 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)NC(C)C)C(c2cccc(F)c2)C1.
What is the InChIKey of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
The InChIKey is GOLUTVSSQHCOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-4-19-17(23)21-9-14(12-6-5-7-13(18)8-12)15(10-21)16(22)20-11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 86771874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).