3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

C24H20F2N4O2 — CID 169229886

IUPAC3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESN#Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)cc2CCC(=O)NC2CCNC2=O)c(F)c1
InChIInChI=1S/C24H20F2N4O2/c25-17-5-2-15(3-6-17)21-12-16(4-8-22(31)29-20-9-10-28-24(20)32)23(30-21)18-7-1-14(13-27)11-19(18)26/h1-3,5-7,11-12,20,30H,4,8-10H2,(H,28,32)(H,29,31)
InChIKeyAFBHJJSAEWQVIN-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.44
Rot. Bonds6

About 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 169229886) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID169229886
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESN#Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)cc2CCC(=O)NC2CCNC2=O)c(F)c1
InChIInChI=1S/C24H20F2N4O2/c25-17-5-2-15(3-6-17)21-12-16(4-8-22(31)29-20-9-10-28-24(20)32)23(30-21)18-7-1-14(13-27)11-19(18)26/h1-3,5-7,11-12,20,30H,4,8-10H2,(H,28,32)(H,29,31)
InChIKeyAFBHJJSAEWQVIN-UHFFFAOYSA-N
XLogP3.44
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (CID 169229886) is 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is N#Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)cc2CCC(=O)NC2CCNC2=O)c(F)c1.
What is the InChIKey of 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is AFBHJJSAEWQVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-17-5-2-15(3-6-17)21-12-16(4-8-22(31)29-20-9-10-28-24(20)32)23(30-21)18-7-1-14(13-27)11-19(18)26/h1-3,5-7,11-12,20,30H,4,8-10H2,(H,28,32)(H,29,31).
What are the key properties of 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 434.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 169229886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).