N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide

C19H18ClFN2O3 — CID 16918888

IUPACN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClFN2O3/c20-14-1-5-16(6-2-14)23-11-13(9-19(23)25)10-22-18(24)12-26-17-7-3-15(21)4-8-17/h1-8,13H,9-12H2,(H,22,24)
InChIKeyOZXCGKJEDAVDII-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.03
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 16918888) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID16918888
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClFN2O3/c20-14-1-5-16(6-2-14)23-11-13(9-19(23)25)10-22-18(24)12-26-17-7-3-15(21)4-8-17/h1-8,13H,9-12H2,(H,22,24)
InChIKeyOZXCGKJEDAVDII-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40895841
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033
2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918426
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 16918577
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1-[(4-chlorophenyl)methyl]-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913218
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
2-ethoxy-N-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40876961

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide (CID 16918888) is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is OZXCGKJEDAVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-14-1-5-16(6-2-14)23-11-13(9-19(23)25)10-22-18(24)12-26-17-7-3-15(21)4-8-17/h1-8,13H,9-12H2,(H,22,24).
What are the key properties of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 376.82 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 16918888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).