1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea

C20H22ClN3O3 — CID 110367958

IUPAC1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
SMILESCc1cc(C)cc(N2CC(CNC(=O)Nc3cccc(Cl)c3)OCC2=O)c1
InChIInChI=1S/C20H22ClN3O3/c1-13-6-14(2)8-17(7-13)24-11-18(27-12-19(24)25)10-22-20(26)23-16-5-3-4-15(21)9-16/h3-9,18H,10-12H2,1-2H3,(H2,22,23,26)
InChIKeyLJUAQXLPTUOGCE-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea

1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea (PubChem CID 110367958) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
PubChem CID110367958
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
SMILESCc1cc(C)cc(N2CC(CNC(=O)Nc3cccc(Cl)c3)OCC2=O)c1
InChIInChI=1S/C20H22ClN3O3/c1-13-6-14(2)8-17(7-13)24-11-18(27-12-19(24)25)10-22-20(26)23-16-5-3-4-15(21)9-16/h3-9,18H,10-12H2,1-2H3,(H2,22,23,26)
InChIKeyLJUAQXLPTUOGCE-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367489
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide
CID 110367922
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
2-chloro-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-6-fluorobenzamide
CID 110367504
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea (CID 110367958) is 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea is Cc1cc(C)cc(N2CC(CNC(=O)Nc3cccc(Cl)c3)OCC2=O)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The InChIKey is LJUAQXLPTUOGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-6-14(2)8-17(7-13)24-11-18(27-12-19(24)25)10-22-20(26)23-16-5-3-4-15(21)9-16/h3-9,18H,10-12H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea has a molecular weight of 387.87 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea is sourced from PubChem (CID 110367958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).