N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide

C13H15ClN2O3 — CID 23064259

IUPACN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C13H15ClN2O3/c1-4-8(17)15-7-5-6(14)10-9(11(7)18)13(2,3)12(19)16-10/h5,18H,4H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyPWTQPIQCOSPYSI-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.62
Rot. Bonds2

About N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide

N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide (PubChem CID 23064259) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide.

Molecular Properties

Compound NameN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
PubChem CID23064259
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C13H15ClN2O3/c1-4-8(17)15-7-5-6(14)10-9(11(7)18)13(2,3)12(19)16-10/h5,18H,4H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyPWTQPIQCOSPYSI-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The IUPAC name of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide (CID 23064259) is N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide.
What is the SMILES notation for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The canonical SMILES for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide is CCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)C(=O)N2.
What is the InChIKey of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The InChIKey is PWTQPIQCOSPYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-4-8(17)15-7-5-6(14)10-9(11(7)18)13(2,3)12(19)16-10/h5,18H,4H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide has a molecular weight of 282.73 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide is sourced from PubChem (CID 23064259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).