2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

C21H25FN2O — CID 47019475

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCCC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-16(2)24(19-7-4-3-5-8-19)21(25)15-23-14-6-9-20(23)17-10-12-18(22)13-11-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3
InChIKeySKSVJXIVWWXCBN-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.40
Rot. Bonds5

About 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 47019475) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID47019475
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCCC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-16(2)24(19-7-4-3-5-8-19)21(25)15-23-14-6-9-20(23)17-10-12-18(22)13-11-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3
InChIKeySKSVJXIVWWXCBN-UHFFFAOYSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 47019475) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1CCCC1c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is SKSVJXIVWWXCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16(2)24(19-7-4-3-5-8-19)21(25)15-23-14-6-9-20(23)17-10-12-18(22)13-11-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 340.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 47019475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).