2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide

C13H12F2N2O2 — CID 168946978

IUPAC2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)c1c[nH]c2ccc(F)c(F)c12
InChIInChI=1S/C13H12F2N2O2/c1-3-17(2)13(19)12(18)7-6-16-9-5-4-8(14)11(15)10(7)9/h4-6,16H,3H2,1-2H3
InChIKeyCERSOHOPDFRMBW-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.11
Rot. Bonds3

About 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide

2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide (PubChem CID 168946978) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide
PubChem CID168946978
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)c1c[nH]c2ccc(F)c(F)c12
InChIInChI=1S/C13H12F2N2O2/c1-3-17(2)13(19)12(18)7-6-16-9-5-4-8(14)11(15)10(7)9/h4-6,16H,3H2,1-2H3
InChIKeyCERSOHOPDFRMBW-UHFFFAOYSA-N
XLogP2.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]-methylamino]ethyl]-N-methylbenzamide
CID 45485555
2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide
CID 166157917
2-(4-fluoro-1H-indol-3-yl)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
CID 156821103
2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide
CID 168946807
4-chloro-5-fluoro-1H-indole-3-carbonyl chloride
CID 139271421
ethyl 5-cyano-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 2727486
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 122413541
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate
CID 18523347
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide (CID 168946978) is 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide is CCN(C)C(=O)C(=O)c1c[nH]c2ccc(F)c(F)c12.
What is the InChIKey of 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide?
The InChIKey is CERSOHOPDFRMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-3-17(2)13(19)12(18)7-6-16-9-5-4-8(14)11(15)10(7)9/h4-6,16H,3H2,1-2H3.
What are the key properties of 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide?
2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide has a molecular weight of 266.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 168946978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).