2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide

C14H14F2N2O2 — CID 168946807

IUPAC2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)C(=O)c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C14H14F2N2O2/c1-7(2)18(3)14(20)13(19)9-6-17-12-8(9)4-5-10(15)11(12)16/h4-7,17H,1-3H3
InChIKeyIJPPNHHSEATQHB-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.50
Rot. Bonds3

About 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide

2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide (PubChem CID 168946807) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide
PubChem CID168946807
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)C(=O)c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C14H14F2N2O2/c1-7(2)18(3)14(20)13(19)9-6-17-12-8(9)4-5-10(15)11(12)16/h4-7,17H,1-3H3
InChIKeyIJPPNHHSEATQHB-UHFFFAOYSA-N
XLogP2.50
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.50
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

2-(6,7-difluoro-1H-indol-3-yl)-N-ethyl-2-oxo-N-propylacetamide
CID 166157917
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 121255006
2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide
CID 168946978
3-ethyl-6,7-difluoro-1H-indole
CID 130050075
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 168946827
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
3-acetyl-6,7,8-trifluoro-1H-quinolin-4-one
CID 59457959
methyl 2-(6-chloro-7-methyl-1H-indol-3-yl)-2-oxoacetate
CID 84742082
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67489578
1-[(1S)-1-(7,8-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 151103497

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide (CID 168946807) is 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide is CC(C)N(C)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-methyl-2-oxo-N-propan-2-ylacetamide?
The InChIKey is IJPPNHHSEATQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-7(2)18(3)14(20)13(19)9-6-17-12-8(9)4-5-10(15)11(12)16/h4-7,17H,1-3H3.
What are the key properties of 2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide?
2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide has a molecular weight of 280.27 g/mol, XLogP of 2.50, 3 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-methyl-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 168946807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).