N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide

C18H16F3NO3 — CID 95986137

IUPACN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)25-14-7-5-13(6-8-14)16(23)22-11-17(24)10-9-12-3-1-2-4-15(12)17/h1-8,24H,9-11H2,(H,22,23)/t17-/m1/s1
InChIKeyDAMYYXGLTOHFBN-QGZVFWFLSA-N
MW351.32 g/mol
LogP3.15
Rot. Bonds4

About N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 95986137) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID95986137
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)25-14-7-5-13(6-8-14)16(23)22-11-17(24)10-9-12-3-1-2-4-15(12)17/h1-8,24H,9-11H2,(H,22,23)/t17-/m1/s1
InChIKeyDAMYYXGLTOHFBN-QGZVFWFLSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 95986137) is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide is O=C(NC[C@]1(O)CCc2ccccc21)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DAMYYXGLTOHFBN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F3NO3/c19-18(20,21)25-14-7-5-13(6-8-14)16(23)22-11-17(24)10-9-12-3-1-2-4-15(12)17/h1-8,24H,9-11H2,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 351.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 95986137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).