N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide

C20H17F4N3O — CID 146513800

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2cc(F)ccc21
InChIInChI=1S/C20H17F4N3O/c1-19(2,27-8-7-12-9-14(21)4-6-17(12)27)18(28)26-15-5-3-13(11-25)16(10-15)20(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,26,28)
InChIKeyMUELMKZMAQDIGE-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.50
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide (PubChem CID 146513800) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
PubChem CID146513800
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2cc(F)ccc21
InChIInChI=1S/C20H17F4N3O/c1-19(2,27-8-7-12-9-14(21)4-6-17(12)27)18(28)26-15-5-3-13(11-25)16(10-15)20(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,26,28)
InChIKeyMUELMKZMAQDIGE-UHFFFAOYSA-N
XLogP4.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide (CID 146513800) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2cc(F)ccc21.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
The InChIKey is MUELMKZMAQDIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-19(2,27-8-7-12-9-14(21)4-6-17(12)27)18(28)26-15-5-3-13(11-25)16(10-15)20(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,26,28).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide has a molecular weight of 391.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 146513800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).