2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide

C18H17FN2O — CID 113210367

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H17FN2O/c1-18(2,17(22)21-13-6-4-3-5-7-13)15-11-20-16-10-12(19)8-9-14(15)16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyOIZXLKKKQOEPSL-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.22
Rot. Bonds3

About 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide (PubChem CID 113210367) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
PubChem CID113210367
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H17FN2O/c1-18(2,17(22)21-13-6-4-3-5-7-13)15-11-20-16-10-12(19)8-9-14(15)16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyOIZXLKKKQOEPSL-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210289
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
CID 113210360
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
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)-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide (CID 113210367) is 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide is CC(C)(C(=O)Nc1ccccc1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide?
The InChIKey is OIZXLKKKQOEPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-18(2,17(22)21-13-6-4-3-5-7-13)15-11-20-16-10-12(19)8-9-14(15)16/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide?
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide has a molecular weight of 296.35 g/mol, XLogP of 4.22, 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)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 113210367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).