1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide

C17H24FN3O2 — CID 71956274

IUPAC1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide
SMILESCCCNC(=O)C1CN(C(=O)NCC)CC1c1cccc(F)c1
InChIInChI=1S/C17H24FN3O2/c1-3-8-20-16(22)15-11-21(17(23)19-4-2)10-14(15)12-6-5-7-13(18)9-12/h5-7,9,14-15H,3-4,8,10-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyBVVAVCSWGSOEDY-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.10
Rot. Bonds5

About 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide

1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide (PubChem CID 71956274) 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-propylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide
PubChem CID71956274
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide
SMILESCCCNC(=O)C1CN(C(=O)NCC)CC1c1cccc(F)c1
InChIInChI=1S/C17H24FN3O2/c1-3-8-20-16(22)15-11-21(17(23)19-4-2)10-14(15)12-6-5-7-13(18)9-12/h5-7,9,14-15H,3-4,8,10-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyBVVAVCSWGSOEDY-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-propylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide (CID 71956274) is 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide is CCCNC(=O)C1CN(C(=O)NCC)CC1c1cccc(F)c1.
What is the InChIKey of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide?
The InChIKey is BVVAVCSWGSOEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-3-8-20-16(22)15-11-21(17(23)19-4-2)10-14(15)12-6-5-7-13(18)9-12/h5-7,9,14-15H,3-4,8,10-11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide?
1-N-ethyl-4-(3-fluorophenyl)-3-N-propylpyrrolidine-1,3-dicarboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.10, 5 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-propylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 71956274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).