N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H25F2N3O3 — CID 24979003

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H25F2N3O3/c1-2-27(15-20(29)26-22-18(24)9-6-10-19(22)25)23(31)17-13-21(30)28(14-17)12-11-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3,(H,26,29)
InChIKeyMXRPEOXKQOYRHF-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.84
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 24979003) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID24979003
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H25F2N3O3/c1-2-27(15-20(29)26-22-18(24)9-6-10-19(22)25)23(31)17-13-21(30)28(14-17)12-11-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3,(H,26,29)
InChIKeyMXRPEOXKQOYRHF-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 24979003) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MXRPEOXKQOYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-2-27(15-20(29)26-22-18(24)9-6-10-19(22)25)23(31)17-13-21(30)28(14-17)12-11-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3,(H,26,29).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 24979003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).