1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea

C19H25FN4O3 — CID 138037578

IUPAC1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(F)cc1N1CCOCC1)NC1CCN(C2CCC2)C1=O
InChIInChI=1S/C19H25FN4O3/c20-13-4-5-15(17(12-13)23-8-10-27-11-9-23)21-19(26)22-16-6-7-24(18(16)25)14-2-1-3-14/h4-5,12,14,16H,1-3,6-11H2,(H2,21,22,26)
InChIKeyRCBXREPXDUAILP-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.94
Rot. Bonds4

About 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea

1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea (PubChem CID 138037578) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea
PubChem CID138037578
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(F)cc1N1CCOCC1)NC1CCN(C2CCC2)C1=O
InChIInChI=1S/C19H25FN4O3/c20-13-4-5-15(17(12-13)23-8-10-27-11-9-23)21-19(26)22-16-6-7-24(18(16)25)14-2-1-3-14/h4-5,12,14,16H,1-3,6-11H2,(H2,21,22,26)
InChIKeyRCBXREPXDUAILP-UHFFFAOYSA-N
XLogP1.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 154743880
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 132971826
3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122095228
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
CID 167968899
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 46981067
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea (CID 138037578) is 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea is O=C(Nc1ccc(F)cc1N1CCOCC1)NC1CCN(C2CCC2)C1=O.
What is the InChIKey of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea?
The InChIKey is RCBXREPXDUAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c20-13-4-5-15(17(12-13)23-8-10-27-11-9-23)21-19(26)22-16-6-7-24(18(16)25)14-2-1-3-14/h4-5,12,14,16H,1-3,6-11H2,(H2,21,22,26).
What are the key properties of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea?
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea has a molecular weight of 376.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 138037578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).