2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

C19H17ClF2N2O2 — CID 25382394

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H17ClF2N2O2/c20-16-2-1-3-17(22)15(16)9-18(25)23-14-8-19(26)24(11-14)10-12-4-6-13(21)7-5-12/h1-7,14H,8-11H2,(H,23,25)/t14-/m0/s1
InChIKeyPMQJPJZGRBPULN-AWEZNQCLSA-N
MW378.81 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 25382394) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
PubChem CID25382394
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H17ClF2N2O2/c20-16-2-1-3-17(22)15(16)9-18(25)23-14-8-19(26)24(11-14)10-12-4-6-13(21)7-5-12/h1-7,14H,8-11H2,(H,23,25)/t14-/m0/s1
InChIKeyPMQJPJZGRBPULN-AWEZNQCLSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 42392564
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 42465722
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 42528068
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (CID 25382394) is 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is O=C(Cc1c(F)cccc1Cl)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is PMQJPJZGRBPULN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c20-16-2-1-3-17(22)15(16)9-18(25)23-14-8-19(26)24(11-14)10-12-4-6-13(21)7-5-12/h1-7,14H,8-11H2,(H,23,25)/t14-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 378.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 25382394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).