1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea

C20H22ClN3O3 — CID 16920175

IUPAC1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O3/c21-16-6-8-17(9-7-16)24-14-15(12-19(24)25)13-23-20(26)22-10-11-27-18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H2,22,23,26)
InChIKeyBLPAIMIBSHVISL-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.07
Rot. Bonds7

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

1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea (PubChem CID 16920175) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
PubChem CID16920175
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O3/c21-16-6-8-17(9-7-16)24-14-15(12-19(24)25)13-23-20(26)22-10-11-27-18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H2,22,23,26)
InChIKeyBLPAIMIBSHVISL-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920051
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
1-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenylethyl)urea
CID 40912903
1-benzyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913063
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
1-[(4-chlorophenyl)methyl]-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913218
(Z)-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-phenylprop-2-enamide
CID 16918871
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2,6-dimethoxyphenyl)urea
CID 16920167
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918889
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea (CID 16920175) is 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is BLPAIMIBSHVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-16-6-8-17(9-7-16)24-14-15(12-19(24)25)13-23-20(26)22-10-11-27-18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H2,22,23,26).
What are the key properties of 1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea?
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 387.87 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 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-phenoxyethyl)urea is sourced from PubChem (CID 16920175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).