N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C20H21FN2O2 — CID 3239601

IUPACN-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c21-18-8-6-16(7-9-18)13-22-20(25)17-12-19(24)23(14-17)11-10-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)
InChIKeyFWTYFOAVKMKUTF-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.53
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 3239601) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID3239601
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c21-18-8-6-16(7-9-18)13-22-20(25)17-12-19(24)23(14-17)11-10-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)
InChIKeyFWTYFOAVKMKUTF-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 3239601) is N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FWTYFOAVKMKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-8-6-16(7-9-18)13-22-20(25)17-12-19(24)23(14-17)11-10-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3239601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).