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

C12H13ClN2O3 — CID 10333270

IUPACN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C12H13ClN2O3/c1-5(16)14-7-4-6(13)9-8(10(7)17)12(2,3)11(18)15-9/h4,17H,1-3H3,(H,14,16)(H,15,18)
InChIKeyWQVINRMPWQDICE-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.23
Rot. Bonds1

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

N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (PubChem CID 10333270) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
PubChem CID10333270
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C12H13ClN2O3/c1-5(16)14-7-4-6(13)9-8(10(7)17)12(2,3)11(18)15-9/h4,17H,1-3H3,(H,14,16)(H,15,18)
InChIKeyWQVINRMPWQDICE-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.23
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)acetamide?
The IUPAC name of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (CID 10333270) is N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.
What is the SMILES notation for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The canonical SMILES for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is CC(=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)acetamide?
The InChIKey is WQVINRMPWQDICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-5(16)14-7-4-6(13)9-8(10(7)17)12(2,3)11(18)15-9/h4,17H,1-3H3,(H,14,16)(H,15,18).
What are the key properties of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide has a molecular weight of 268.70 g/mol, XLogP of 2.23, 1 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)acetamide is sourced from PubChem (CID 10333270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).