1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea

C18H17F2N3O2 — CID 3237089

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H17F2N3O2/c19-13-6-7-16(15(20)8-13)22-18(25)21-14-9-17(24)23(11-14)10-12-4-2-1-3-5-12/h1-8,14H,9-11H2,(H2,21,22,25)
InChIKeyGQXRIDDVDOROSM-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 3237089) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea
PubChem CID3237089
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H17F2N3O2/c19-13-6-7-16(15(20)8-13)22-18(25)21-14-9-17(24)23(11-14)10-12-4-2-1-3-5-12/h1-8,14H,9-11H2,(H2,21,22,25)
InChIKeyGQXRIDDVDOROSM-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea (CID 3237089) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is GQXRIDDVDOROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-13-6-7-16(15(20)8-13)22-18(25)21-14-9-17(24)23(11-14)10-12-4-2-1-3-5-12/h1-8,14H,9-11H2,(H2,21,22,25).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 345.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 3237089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).