2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide

C15H16F2N2O2 — CID 166157917

IUPAC2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide
SMILESCCCN(CC)C(=O)C(=O)c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C15H16F2N2O2/c1-3-7-19(4-2)15(21)14(20)10-8-18-13-9(10)5-6-11(16)12(13)17/h5-6,8,18H,3-4,7H2,1-2H3
InChIKeyPTMKOGCGWUXFKL-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.89
Rot. Bonds5

About 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide

2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide (PubChem CID 166157917) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide
PubChem CID166157917
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide
SMILESCCCN(CC)C(=O)C(=O)c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C15H16F2N2O2/c1-3-7-19(4-2)15(21)14(20)10-8-18-13-9(10)5-6-11(16)12(13)17/h5-6,8,18H,3-4,7H2,1-2H3
InChIKeyPTMKOGCGWUXFKL-UHFFFAOYSA-N
XLogP2.89
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide?
The IUPAC name of 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide (CID 166157917) is 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide.
What is the SMILES notation for 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide?
The canonical SMILES for 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide is CCCN(CC)C(=O)C(=O)c1c[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide?
The InChIKey is PTMKOGCGWUXFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-3-7-19(4-2)15(21)14(20)10-8-18-13-9(10)5-6-11(16)12(13)17/h5-6,8,18H,3-4,7H2,1-2H3.
What are the key properties of 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide?
2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide has a molecular weight of 294.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide is sourced from PubChem (CID 166157917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).