2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide

C18H16F2N2O — CID 113210383

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1F)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H16F2N2O/c1-18(2,17(23)22-15-6-4-3-5-14(15)20)13-10-21-16-9-11(19)7-8-12(13)16/h3-10,21H,1-2H3,(H,22,23)
InChIKeyPWRUNTZINSKADA-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.36
Rot. Bonds3

About 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide

2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 113210383) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
PubChem CID113210383
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1F)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H16F2N2O/c1-18(2,17(23)22-15-6-4-3-5-14(15)20)13-10-21-16-9-11(19)7-8-12(13)16/h3-10,21H,1-2H3,(H,22,23)
InChIKeyPWRUNTZINSKADA-UHFFFAOYSA-N
XLogP4.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210414
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210289
ethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210009
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
CID 113210360
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide (CID 113210383) is 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccccc1F)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is PWRUNTZINSKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-18(2,17(23)22-15-6-4-3-5-14(15)20)13-10-21-16-9-11(19)7-8-12(13)16/h3-10,21H,1-2H3,(H,22,23).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide?
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 314.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 113210383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).