1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C14H17F2N3O2 — CID 17282468

IUPAC1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O2/c15-10-4-5-12(11(16)9-10)18-14(21)17-6-2-8-19-7-1-3-13(19)20/h4-5,9H,1-3,6-8H2,(H2,17,18,21)
InChIKeyWQDNOJPYVSIJOL-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.10
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 17282468) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID17282468
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O2/c15-10-4-5-12(11(16)9-10)18-14(21)17-6-2-8-19-7-1-3-13(19)20/h4-5,9H,1-3,6-8H2,(H2,17,18,21)
InChIKeyWQDNOJPYVSIJOL-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 17282468) is 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is WQDNOJPYVSIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-10-4-5-12(11(16)9-10)18-14(21)17-6-2-8-19-7-1-3-13(19)20/h4-5,9H,1-3,6-8H2,(H2,17,18,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 297.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 17282468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).