5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione

C14H17ClN2O3 — CID 43343141

IUPAC5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione
SMILESCC(C)NCC(O)CN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O3/c1-8(2)16-6-10(18)7-17-12-4-3-9(15)5-11(12)13(19)14(17)20/h3-5,8,10,16,18H,6-7H2,1-2H3
InChIKeyXNKUMQLFCVIDQG-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.23
Rot. Bonds5

About 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione

5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione (PubChem CID 43343141) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione
PubChem CID43343141
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione
SMILESCC(C)NCC(O)CN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O3/c1-8(2)16-6-10(18)7-17-12-4-3-9(15)5-11(12)13(19)14(17)20/h3-5,8,10,16,18H,6-7H2,1-2H3
InChIKeyXNKUMQLFCVIDQG-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione 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

5-chloro-1-(2-ethylbutyl)indole-2,3-dione
CID 82928521
5-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726035
1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione
CID 43343151
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103071645
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760
1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
CID 103826042
5-chloro-1-(4-chlorobut-2-enyl)indole-2,3-dione
CID 77051425
4-(5-chloro-2,3-dioxoindol-1-yl)but-2-enoic acid
CID 76940515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione (CID 43343141) is 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione is CC(C)NCC(O)CN1C(=O)C(=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione?
The InChIKey is XNKUMQLFCVIDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8(2)16-6-10(18)7-17-12-4-3-9(15)5-11(12)13(19)14(17)20/h3-5,8,10,16,18H,6-7H2,1-2H3.
What are the key properties of 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione?
5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione has a molecular weight of 296.75 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 43343141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).