2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide

C15H19ClN2O3 — CID 110910413

IUPAC2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide
SMILESCC(CO)NC(=O)C(=O)N1CC(C)(C)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2O3/c1-9(7-19)17-13(20)14(21)18-8-15(2,3)12-10(16)5-4-6-11(12)18/h4-6,9,19H,7-8H2,1-3H3,(H,17,20)
InChIKeyHBCIWFIEYMPAIP-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide

2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide (PubChem CID 110910413) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide
PubChem CID110910413
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide
SMILESCC(CO)NC(=O)C(=O)N1CC(C)(C)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2O3/c1-9(7-19)17-13(20)14(21)18-8-15(2,3)12-10(16)5-4-6-11(12)18/h4-6,9,19H,7-8H2,1-3H3,(H,17,20)
InChIKeyHBCIWFIEYMPAIP-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide (CID 110910413) is 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide is CC(CO)NC(=O)C(=O)N1CC(C)(C)c2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide?
The InChIKey is HBCIWFIEYMPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(7-19)17-13(20)14(21)18-8-15(2,3)12-10(16)5-4-6-11(12)18/h4-6,9,19H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide?
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide has a molecular weight of 310.78 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 110910413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).