1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C18H18BrN3O3 — CID 18564279

IUPAC1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(N2CC(NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1
InChIInChI=1S/C18H18BrN3O3/c1-25-16-8-6-15(7-9-16)22-11-14(10-17(22)23)21-18(24)20-13-4-2-12(19)3-5-13/h2-9,14H,10-11H2,1H3,(H2,20,21,24)
InChIKeyGIBPBJKOXNLXIG-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 18564279) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID18564279
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC Name1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(N2CC(NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1
InChIInChI=1S/C18H18BrN3O3/c1-25-16-8-6-15(7-9-16)22-11-14(10-17(22)23)21-18(24)20-13-4-2-12(19)3-5-13/h2-9,14H,10-11H2,1H3,(H2,20,21,24)
InChIKeyGIBPBJKOXNLXIG-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 43969881
methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296
1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 7244456
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 7533363
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 43970743
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
1-(3,4-dichlorophenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545335

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 18564279) is 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is COc1ccc(N2CC(NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is GIBPBJKOXNLXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-25-16-8-6-15(7-9-16)22-11-14(10-17(22)23)21-18(24)20-13-4-2-12(19)3-5-13/h2-9,14H,10-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 404.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 18564279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).