1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea

C26H26ClN3O3 — CID 166379739

IUPAC1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea
SMILESO=C(NCC1CC(=O)N(c2ccc(Cl)cc2)C1)NC(CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26ClN3O3/c27-22-10-12-23(13-11-22)30-16-18(14-25(30)32)15-28-26(33)29-24(17-31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18,24,31H,14-17H2,(H2,28,29,33)
InChIKeyXZHLJVDQMVCTDI-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.39
Rot. Bonds7

About 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea

1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea (PubChem CID 166379739) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea
PubChem CID166379739
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea
SMILESO=C(NCC1CC(=O)N(c2ccc(Cl)cc2)C1)NC(CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26ClN3O3/c27-22-10-12-23(13-11-22)30-16-18(14-25(30)32)15-28-26(33)29-24(17-31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18,24,31H,14-17H2,(H2,28,29,33)
InChIKeyXZHLJVDQMVCTDI-UHFFFAOYSA-N
XLogP4.39
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea with MolForge

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
CID 16920175
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
(Z)-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-phenylprop-2-enamide
CID 16918871
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16918920
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
CID 16918924
2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918889
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea (CID 166379739) is 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea is O=C(NCC1CC(=O)N(c2ccc(Cl)cc2)C1)NC(CO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea?
The InChIKey is XZHLJVDQMVCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-22-10-12-23(13-11-22)30-16-18(14-25(30)32)15-28-26(33)29-24(17-31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18,24,31H,14-17H2,(H2,28,29,33).
What are the key properties of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea?
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea has a molecular weight of 463.97 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea is sourced from PubChem (CID 166379739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).