3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea

C15H20FN3O4 — CID 43970107

IUPAC3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC1CC(=O)N(c2cccc(F)c2)C1)N(CCO)CCO
InChIInChI=1S/C15H20FN3O4/c16-11-2-1-3-13(8-11)19-10-12(9-14(19)22)17-15(23)18(4-6-20)5-7-21/h1-3,8,12,20-21H,4-7,9-10H2,(H,17,23)
InChIKeyPLCYBYSZCMENRE-UHFFFAOYSA-N
MW325.34 g/mol
LogP-0.07
Rot. Bonds6

About 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea

3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 43970107) has the molecular formula C15H20FN3O4 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID43970107
Molecular FormulaC15H20FN3O4
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC Name3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC1CC(=O)N(c2cccc(F)c2)C1)N(CCO)CCO
InChIInChI=1S/C15H20FN3O4/c16-11-2-1-3-13(8-11)19-10-12(9-14(19)22)17-15(23)18(4-6-20)5-7-21/h1-3,8,12,20-21H,4-7,9-10H2,(H,17,23)
InChIKeyPLCYBYSZCMENRE-UHFFFAOYSA-N
XLogP-0.07
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 7546959
1-benzyl-1-butyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546791
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
1-butyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 7547284
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7546779
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea (CID 43970107) is 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea is O=C(NC1CC(=O)N(c2cccc(F)c2)C1)N(CCO)CCO.
What is the InChIKey of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is PLCYBYSZCMENRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4/c16-11-2-1-3-13(8-11)19-10-12(9-14(19)22)17-15(23)18(4-6-20)5-7-21/h1-3,8,12,20-21H,4-7,9-10H2,(H,17,23).
What are the key properties of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea?
3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 325.34 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 43970107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).