N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H18FN5O3 — CID 55813544

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2=O)cc1
InChIInChI=1S/C20H18FN5O3/c1-29-16-5-3-15(4-6-16)25-10-13(8-19(25)27)20(28)24-14-2-7-18(17(21)9-14)26-12-22-11-23-26/h2-7,9,11-13H,8,10H2,1H3,(H,24,28)
InChIKeyJKIWQLQJQXOALG-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.41
Rot. Bonds5

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55813544) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55813544
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2=O)cc1
InChIInChI=1S/C20H18FN5O3/c1-29-16-5-3-15(4-6-16)25-10-13(8-19(25)27)20(28)24-14-2-7-18(17(21)9-14)26-12-22-11-23-26/h2-7,9,11-13H,8,10H2,1H3,(H,24,28)
InChIKeyJKIWQLQJQXOALG-UHFFFAOYSA-N
XLogP2.41
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60573648
(3S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95163305
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide
CID 43070986
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26526374
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16549182
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
1-(4-methoxyphenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55566446

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55813544) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2=O)cc1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JKIWQLQJQXOALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-29-16-5-3-15(4-6-16)25-10-13(8-19(25)27)20(28)24-14-2-7-18(17(21)9-14)26-12-22-11-23-26/h2-7,9,11-13H,8,10H2,1H3,(H,24,28).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55813544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).