1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C14H17Cl2N3O2 — CID 17284462

IUPAC1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c15-10-4-5-11(16)12(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)
InChIKeyQACKCADUGYPVMV-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.13
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 17284462) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID17284462
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c15-10-4-5-11(16)12(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)
InChIKeyQACKCADUGYPVMV-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.13
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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Related Compounds

N-(3-Chlorophenyl)-1-pyrrolidinecarboxamide
CID 765256
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
1-(3-Chloro-4-fluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2239323
3-[(2,5-Dichloro-phenylamino)-methyl]-5,5-dimethyl-imidazolidine-2,4-dione
CID 646337
N-(3-chlorophenyl)-N'-[4-(2-oxo-1-pyrrolidinyl)benzyl]urea
CID 894197
1-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-2,5-dione
CID 9906677
1-(3-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783220
3-(2,5-Dichlorophenyl)-1,1-diethylurea
CID 302975
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 534606
N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
CID 617161
1-(2-Chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2349778
N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2964337

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 17284462) is 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is QACKCADUGYPVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-10-4-5-11(16)12(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-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 330.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 17284462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).