1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea

C13H16ClN3O3 — CID 7548798

IUPAC1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClN3O3/c14-9-1-3-11(4-2-9)17-8-10(7-12(17)19)16-13(20)15-5-6-18/h1-4,10,18H,5-8H2,(H2,15,16,20)/t10-/m0/s1
InChIKeyIVVIZBXQWNWWBO-JTQLQIEISA-N
MW297.74 g/mol
LogP0.74
Rot. Bonds4

About 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea

1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea (PubChem CID 7548798) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
PubChem CID7548798
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClN3O3/c14-9-1-3-11(4-2-9)17-8-10(7-12(17)19)16-13(20)15-5-6-18/h1-4,10,18H,5-8H2,(H2,15,16,20)/t10-/m0/s1
InChIKeyIVVIZBXQWNWWBO-JTQLQIEISA-N
XLogP0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-hydroxypropyl)urea
CID 43970296
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215724
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,2-diethoxyethyl)urea
CID 43970438
1-(2-chloroethyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513705
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 7549043
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 43970451
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215891
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 18564498
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 43970430
1-[(4-chlorophenyl)methyl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543334

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea (CID 7548798) is 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea is O=C(NCCO)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is IVVIZBXQWNWWBO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-9-1-3-11(4-2-9)17-8-10(7-12(17)19)16-13(20)15-5-6-18/h1-4,10,18H,5-8H2,(H2,15,16,20)/t10-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea?
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 297.74 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 7548798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).