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

C19H28FN3O2 — CID 71956267

IUPAC1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)NC(C)(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C19H28FN3O2/c1-12(2)21-17(24)16-11-23(18(25)22-19(3,4)5)10-15(16)13-7-6-8-14(20)9-13/h6-9,12,15-16H,10-11H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyAYFHTAHVYDDLLL-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.87
Rot. Bonds3

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

1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide (PubChem CID 71956267) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide
PubChem CID71956267
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)NC(C)(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C19H28FN3O2/c1-12(2)21-17(24)16-11-23(18(25)22-19(3,4)5)10-15(16)13-7-6-8-14(20)9-13/h6-9,12,15-16H,10-11H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyAYFHTAHVYDDLLL-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide (CID 71956267) is 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide is CC(C)NC(=O)C1CN(C(=O)NC(C)(C)C)CC1c1cccc(F)c1.
What is the InChIKey of 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
The InChIKey is AYFHTAHVYDDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-12(2)21-17(24)16-11-23(18(25)22-19(3,4)5)10-15(16)13-7-6-8-14(20)9-13/h6-9,12,15-16H,10-11H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide?
1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-(3-fluorophenyl)-3-N-propan-2-ylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 71956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).