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

C15H20ClN3O3 — CID 43970430

IUPAC1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O3/c1-2-11(9-20)17-15(22)18-12-7-14(21)19(8-12)13-5-3-10(16)4-6-13/h3-6,11-12,20H,2,7-9H2,1H3,(H2,17,18,22)
InChIKeyYPMMLZZWUBRXJS-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.52
Rot. Bonds5

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

1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 43970430) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID43970430
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O3/c1-2-11(9-20)17-15(22)18-12-7-14(21)19(8-12)13-5-3-10(16)4-6-13/h3-6,11-12,20H,2,7-9H2,1H3,(H2,17,18,22)
InChIKeyYPMMLZZWUBRXJS-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 18564419
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 18572761
1-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 7552164
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
1-butan-2-yl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970288
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
1-benzhydryl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7549026
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,2-diethoxyethyl)urea
CID 43970438
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea (CID 43970430) is 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is YPMMLZZWUBRXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-2-11(9-20)17-15(22)18-12-7-14(21)19(8-12)13-5-3-10(16)4-6-13/h3-6,11-12,20H,2,7-9H2,1H3,(H2,17,18,22).
What are the key properties of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea?
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 325.80 g/mol, XLogP of 1.52, 5 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]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 43970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).