N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide

C21H24F3N3O — CID 11246301

IUPACN-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc2c(cc1N)N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C21H24F3N3O/c1-20(2,3)19(28)26-17-10-14-8-9-27(18(14)11-16(17)25)12-13-4-6-15(7-5-13)21(22,23)24/h4-7,10-11H,8-9,12,25H2,1-3H3,(H,26,28)
InChIKeyBDNMQAIDXMFIPX-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.83
Rot. Bonds3

About N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide

N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide (PubChem CID 11246301) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide
PubChem CID11246301
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC NameN-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc2c(cc1N)N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C21H24F3N3O/c1-20(2,3)19(28)26-17-10-14-8-9-27(18(14)11-16(17)25)12-13-4-6-15(7-5-13)21(22,23)24/h4-7,10-11H,8-9,12,25H2,1-3H3,(H,26,28)
InChIKeyBDNMQAIDXMFIPX-UHFFFAOYSA-N
XLogP4.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide (CID 11246301) is N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc2c(cc1N)N(Cc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is BDNMQAIDXMFIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-20(2,3)19(28)26-17-10-14-8-9-27(18(14)11-16(17)25)12-13-4-6-15(7-5-13)21(22,23)24/h4-7,10-11H,8-9,12,25H2,1-3H3,(H,26,28).
What are the key properties of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide?
N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 391.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).