2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide

C21H20F3NO2 — CID 2803227

IUPAC2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide
SMILESCc1cc(C)c2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)C2=O
InChIInChI=1S/C21H20F3NO2/c1-11-8-12(2)17(15-10-20(3,4)18(26)16(11)15)19(27)25-14-7-5-6-13(9-14)21(22,23)24/h5-9H,10H2,1-4H3,(H,25,27)
InChIKeyAYONQQSBVYCCQR-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.34
Rot. Bonds2

About 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide

2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide (PubChem CID 2803227) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide.

Molecular Properties

Compound Name2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide
PubChem CID2803227
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide
SMILESCc1cc(C)c2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)C2=O
InChIInChI=1S/C21H20F3NO2/c1-11-8-12(2)17(15-10-20(3,4)18(26)16(11)15)19(27)25-14-7-5-6-13(9-14)21(22,23)24/h5-9H,10H2,1-4H3,(H,25,27)
InChIKeyAYONQQSBVYCCQR-UHFFFAOYSA-N
XLogP5.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
N-[2-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 54261442
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-hydroxy-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 54713541
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
2,3,5-trihydroxy-7-methyl-N-(3-methylphenyl)-6-[1,6,7-trihydroxy-3-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
CID 131976643
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609

Frequently Asked Questions

What is the IUPAC name of 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide?
The IUPAC name of 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide (CID 2803227) is 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide.
What is the SMILES notation for 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide?
The canonical SMILES for 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide is Cc1cc(C)c2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)C2=O.
What is the InChIKey of 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide?
The InChIKey is AYONQQSBVYCCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-11-8-12(2)17(15-10-20(3,4)18(26)16(11)15)19(27)25-14-7-5-6-13(9-14)21(22,23)24/h5-9H,10H2,1-4H3,(H,25,27).
What are the key properties of 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide?
2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7-tetramethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3H-indene-4-carboxamide is sourced from PubChem (CID 2803227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).