1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

C17H24FN3O2 — CID 3230238

IUPAC1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H24FN3O2/c1-12(2)8-9-19-16(22)15-7-4-10-21(15)17(23)20-14-6-3-5-13(18)11-14/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySIDYWMZCGABLMH-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.98
Rot. Bonds5

About 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230238) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230238
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H24FN3O2/c1-12(2)8-9-19-16(22)15-7-4-10-21(15)17(23)20-14-6-3-5-13(18)11-14/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySIDYWMZCGABLMH-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (CID 3230238) is 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is CC(C)CCNC(=O)C1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is SIDYWMZCGABLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(2)8-9-19-16(22)15-7-4-10-21(15)17(23)20-14-6-3-5-13(18)11-14/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).