2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

C19H18ClFN2O3 — CID 42392564

IUPAC2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O3/c20-16-3-1-2-4-17(16)26-12-18(24)22-15-9-19(25)23(11-15)10-13-5-7-14(21)8-6-13/h1-8,15H,9-12H2,(H,22,24)/t15-/m1/s1
InChIKeyMBTJKYUBGMHDII-OAHLLOKOSA-N
MW376.82 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 42392564) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
PubChem CID42392564
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O3/c20-16-3-1-2-4-17(16)26-12-18(24)22-15-9-19(25)23(11-15)10-13-5-7-14(21)8-6-13/h1-8,15H,9-12H2,(H,22,24)/t15-/m1/s1
InChIKeyMBTJKYUBGMHDII-OAHLLOKOSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25382394
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 45246389
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 42465722
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (CID 42392564) is 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is O=C(COc1ccccc1Cl)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is MBTJKYUBGMHDII-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-16-3-1-2-4-17(16)26-12-18(24)22-15-9-19(25)23(11-15)10-13-5-7-14(21)8-6-13/h1-8,15H,9-12H2,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 376.82 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 42392564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).