N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide

C19H18F2N2O3 — CID 16822238

IUPACN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
SMILESCCOc1ccc(N2CC(NC(=O)c3c(F)cccc3F)CC2=O)cc1
InChIInChI=1S/C19H18F2N2O3/c1-2-26-14-8-6-13(7-9-14)23-11-12(10-17(23)24)22-19(25)18-15(20)4-3-5-16(18)21/h3-9,12H,2,10-11H2,1H3,(H,22,25)
InChIKeyPPJKIUGRWDYYCL-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide (PubChem CID 16822238) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
PubChem CID16822238
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
SMILESCCOc1ccc(N2CC(NC(=O)c3c(F)cccc3F)CC2=O)cc1
InChIInChI=1S/C19H18F2N2O3/c1-2-26-14-8-6-13(7-9-14)23-11-12(10-17(23)24)22-19(25)18-15(20)4-3-5-16(18)21/h3-9,12H,2,10-11H2,1H3,(H,22,25)
InChIKeyPPJKIUGRWDYYCL-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7548914
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 16822230
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide (CID 16822238) is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide is CCOc1ccc(N2CC(NC(=O)c3c(F)cccc3F)CC2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide?
The InChIKey is PPJKIUGRWDYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-2-26-14-8-6-13(7-9-14)23-11-12(10-17(23)24)22-19(25)18-15(20)4-3-5-16(18)21/h3-9,12H,2,10-11H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide?
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide has a molecular weight of 360.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 16822238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).