4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one

C13H17ClN2O3 — CID 106188968

IUPAC4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NCC(O)COc2ccc(Cl)cc2)CN1
InChIInChI=1S/C13H17ClN2O3/c14-9-1-3-12(4-2-9)19-8-11(17)7-15-10-5-13(18)16-6-10/h1-4,10-11,15,17H,5-8H2,(H,16,18)
InChIKeyYOGRRLWDJFYJAH-UHFFFAOYSA-N
MW284.74 g/mol
LogP0.56
Rot. Bonds6

About 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one

4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one (PubChem CID 106188968) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
PubChem CID106188968
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NCC(O)COc2ccc(Cl)cc2)CN1
InChIInChI=1S/C13H17ClN2O3/c14-9-1-3-12(4-2-9)19-8-11(17)7-15-10-5-13(18)16-6-10/h1-4,10-11,15,17H,5-8H2,(H,16,18)
InChIKeyYOGRRLWDJFYJAH-UHFFFAOYSA-N
XLogP0.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 63661388
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
CID 106189128
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
(2R)-1-(4-chlorophenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95337358
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615
N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide
CID 160689532
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one (CID 106188968) is 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one is O=C1CC(NCC(O)COc2ccc(Cl)cc2)CN1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one?
The InChIKey is YOGRRLWDJFYJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-9-1-3-12(4-2-9)19-8-11(17)7-15-10-5-13(18)16-6-10/h1-4,10-11,15,17H,5-8H2,(H,16,18).
What are the key properties of 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one?
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one has a molecular weight of 284.74 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106188968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).