2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

C23H18ClF2N3O2 — CID 67444981

IUPAC2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H18ClF2N3O2/c24-17-5-10-20(27-13-17)28-21(30)14-29-12-11-23(22(29)31,15-1-6-18(25)7-2-15)16-3-8-19(26)9-4-16/h1-10,13H,11-12,14H2,(H,27,28,30)
InChIKeyDGPXSMYEQPJWCR-UHFFFAOYSA-N
MW441.87 g/mol
LogP4.17
Rot. Bonds5

About 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 67444981) has the molecular formula C23H18ClF2N3O2 and a molecular weight of 441.87 g/mol. Its IUPAC name is 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID67444981
Molecular FormulaC23H18ClF2N3O2
Molecular Weight441.87 g/mol
Exact Mass441.11
IUPAC Name2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H18ClF2N3O2/c24-17-5-10-20(27-13-17)28-21(30)14-29-12-11-23(22(29)31,15-1-6-18(25)7-2-15)16-3-8-19(26)9-4-16/h1-10,13H,11-12,14H2,(H,27,28,30)
InChIKeyDGPXSMYEQPJWCR-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51172548
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 67357191
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129350369
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
CID 67359459
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 67361056
N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (3R,7aR)-7a-(4-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 2459598
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462967

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (CID 67444981) is 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is DGPXSMYEQPJWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O2/c24-17-5-10-20(27-13-17)28-21(30)14-29-12-11-23(22(29)31,15-1-6-18(25)7-2-15)16-3-8-19(26)9-4-16/h1-10,13H,11-12,14H2,(H,27,28,30).
What are the key properties of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 441.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 67444981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).