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

C17H14F3NO2 — CID 140712080

IUPAC2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CCc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)23-11-7-5-10-6-8-13(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
InChIKeyDRRNKZOWCRVBEC-ZDUSSCGKSA-N
MW321.30 g/mol
LogP3.76
Rot. Bonds3

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

2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 140712080) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID140712080
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CCc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)23-11-7-5-10-6-8-13(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
InChIKeyDRRNKZOWCRVBEC-ZDUSSCGKSA-N
XLogP3.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712238
2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712102
2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712075
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296578
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 67716553
2-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 140712018
7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide
CID 174355835
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
benzoic acid;4,5-dichloro-2-[4-(trifluoromethoxy)phenoxy]benzamide
CID 175542248

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 140712080) is 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)c1ccccc1[C@@H]1CCc2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is DRRNKZOWCRVBEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-17(19,20)23-11-7-5-10-6-8-13(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-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 321.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 140712080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).