2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

C16H23FN2O — CID 50746909

IUPAC2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12(2)8-9-18-16(20)19-10-4-7-15(19)13-5-3-6-14(17)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyWMPGLLKIKLCDAR-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.72
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (PubChem CID 50746909) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
PubChem CID50746909
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12(2)8-9-18-16(20)19-10-4-7-15(19)13-5-3-6-14(17)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyWMPGLLKIKLCDAR-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (CID 50746909) is 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is CC(C)CCNC(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is WMPGLLKIKLCDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(2)8-9-18-16(20)19-10-4-7-15(19)13-5-3-6-14(17)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50746909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).