1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea

C20H22FN3O3 — CID 7548446

IUPAC1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
SMILESCCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(OC)cc1
InChIInChI=1S/C20H22FN3O3/c1-3-23(16-8-10-18(27-2)11-9-16)20(26)22-15-12-19(25)24(13-15)17-6-4-14(21)5-7-17/h4-11,15H,3,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyJULFLIZDGAAMLN-OAHLLOKOSA-N
MW371.41 g/mol
LogP3.18
Rot. Bonds5

About 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea

1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea (PubChem CID 7548446) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
PubChem CID7548446
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
SMILESCCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(OC)cc1
InChIInChI=1S/C20H22FN3O3/c1-3-23(16-8-10-18(27-2)11-9-16)20(26)22-15-12-19(25)24(13-15)17-6-4-14(21)5-7-17/h4-11,15H,3,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyJULFLIZDGAAMLN-OAHLLOKOSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969498
3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
CID 7546668
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
1-cyclohexyl-1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572688
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7544783
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 43971015
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea?
The IUPAC name of 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea (CID 7548446) is 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea?
The canonical SMILES for 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea is CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea?
The InChIKey is JULFLIZDGAAMLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-23(16-8-10-18(27-2)11-9-16)20(26)22-15-12-19(25)24(13-15)17-6-4-14(21)5-7-17/h4-11,15H,3,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea?
1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea has a molecular weight of 371.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea is sourced from PubChem (CID 7548446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).