2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C17H14F3NO — CID 140712238

IUPAC2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-7-5-10-6-8-13(15(10)9-11)12-3-1-2-4-14(12)16(21)22/h1-5,7,9,13H,6,8H2,(H2,21,22)/t13-/m0/s1
InChIKeyWVHJEYUBVUYFKO-ZDUSSCGKSA-N
MW305.30 g/mol
LogP3.88
Rot. Bonds2

About 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 140712238) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID140712238
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-7-5-10-6-8-13(15(10)9-11)12-3-1-2-4-14(12)16(21)22/h1-5,7,9,13H,6,8H2,(H2,21,22)/t13-/m0/s1
InChIKeyWVHJEYUBVUYFKO-ZDUSSCGKSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712080
2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712075
2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712102
2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
CID 118935295
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 118935290
2-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 140712018
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 66683745
1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3678058
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 140712238) is 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)c1ccccc1[C@@H]1CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is WVHJEYUBVUYFKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)11-7-5-10-6-8-13(15(10)9-11)12-3-1-2-4-14(12)16(21)22/h1-5,7,9,13H,6,8H2,(H2,21,22)/t13-/m0/s1.
What are the key properties of 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 305.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 140712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).