2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C21H22F3NO3 — CID 16549569

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C21H22F3NO3/c1-2-10-27-19-9-7-16(21(22,23)24)12-18(19)25-20(26)13-28-17-8-6-14-4-3-5-15(14)11-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,25,26)
InChIKeyGCABUBHECQSWOM-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.00
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 16549569) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID16549569
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C21H22F3NO3/c1-2-10-27-19-9-7-16(21(22,23)24)12-18(19)25-20(26)13-28-17-8-6-14-4-3-5-15(14)11-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,25,26)
InChIKeyGCABUBHECQSWOM-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 46628924
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112978188
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55528913
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 16549569) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GCABUBHECQSWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-2-10-27-19-9-7-16(21(22,23)24)12-18(19)25-20(26)13-28-17-8-6-14-4-3-5-15(14)11-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,25,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16549569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).