1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

C14H17Cl2N3O2 — CID 108876978

IUPAC1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O
InChIInChI=1S/C14H17Cl2N3O2/c1-8(2)19-7-12(6-13(19)20)18-14(21)17-11-4-9(15)3-10(16)5-11/h3-5,8,12H,6-7H2,1-2H3,(H2,17,18,21)
InChIKeyIXQFXRBXDZFQBJ-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.12
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 108876978) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID108876978
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O
InChIInChI=1S/C14H17Cl2N3O2/c1-8(2)19-7-12(6-13(19)20)18-14(21)17-11-4-9(15)3-10(16)5-11/h3-5,8,12H,6-7H2,1-2H3,(H2,17,18,21)
InChIKeyIXQFXRBXDZFQBJ-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876969
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998
1-(2-chloro-4,6-dimethylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877007
1-(3-methoxyphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876863
1-(1,3-benzodioxol-5-yl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876996
1-(2-chloro-3-pyridinyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876870
1-(2-hydroxy-5-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876889
1-(2-bromo-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877024
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-(2-chloroethyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876829
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 108876959

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 108876978) is 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1CC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is IXQFXRBXDZFQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8(2)19-7-12(6-13(19)20)18-14(21)17-11-4-9(15)3-10(16)5-11/h3-5,8,12H,6-7H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 330.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 108876978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).