4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

C22H20FN3O3 — CID 102559541

IUPAC4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H20FN3O3/c1-29-20-5-3-2-4-19(20)26-11-10-18(22(26)28)25-21(27)17-13-24-12-16(17)14-6-8-15(23)9-7-14/h2-9,12-13,18,24H,10-11H2,1H3,(H,25,27)
InChIKeyQHYZCFOQJOQHQR-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.36
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 102559541) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID102559541
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H20FN3O3/c1-29-20-5-3-2-4-19(20)26-11-10-18(22(26)28)25-21(27)17-13-24-12-16(17)14-6-8-15(23)9-7-14/h2-9,12-13,18,24H,10-11H2,1H3,(H,25,27)
InChIKeyQHYZCFOQJOQHQR-UHFFFAOYSA-N
XLogP3.36
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
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CID 124625314
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
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(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119453092

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide (CID 102559541) is 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide is COc1ccccc1N1CCC(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is QHYZCFOQJOQHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-29-20-5-3-2-4-19(20)26-11-10-18(22(26)28)25-21(27)17-13-24-12-16(17)14-6-8-15(23)9-7-14/h2-9,12-13,18,24H,10-11H2,1H3,(H,25,27).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 102559541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).