1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

C18H18ClN3O2 — CID 894197

IUPAC1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O2/c19-14-3-1-4-15(11-14)21-18(24)20-12-13-6-8-16(9-7-13)22-10-2-5-17(22)23/h1,3-4,6-9,11H,2,5,10,12H2,(H2,20,21,24)
InChIKeyLIVQOXDHAOMCER-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 894197) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID894197
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O2/c19-14-3-1-4-15(11-14)21-18(24)20-12-13-6-8-16(9-7-13)22-10-2-5-17(22)23/h1,3-4,6-9,11H,2,5,10,12H2,(H2,20,21,24)
InChIKeyLIVQOXDHAOMCER-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

Pencycuron
CID 91692
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
N-(3-chlorophenyl)-N'-(2-phenylethyl)urea
CID 791966
3-(3-Chloro-4-methylphenyl)-1,1-dibenzylurea
CID 3498635
3-(3-Chloro-4-methylphenyl)-1,1-diethylurea
CID 3692062
3-(3-Chloro-4-methylphenyl)-1,1-dibutylurea
CID 4363246
N-(3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2872768
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986000
N-(3-chloro-4-methylphenyl)-N'-cyclohexylurea
CID 742744
N-{[1-(3-chlorobenzyl)piperidin-4-yl]methyl}-N'-(3-chloro-4-methylphenyl)urea
CID 15989508

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 894197) is 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is LIVQOXDHAOMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-3-1-4-15(11-14)21-18(24)20-12-13-6-8-16(9-7-13)22-10-2-5-17(22)23/h1,3-4,6-9,11H,2,5,10,12H2,(H2,20,21,24).
What are the key properties of 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 343.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 894197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).