N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C20H20F3NO2 — CID 99708862

IUPACN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)16-8-5-14(6-9-16)7-10-18(25)24-13-19(26)12-11-15-3-1-2-4-17(15)19/h1-6,8-9,26H,7,10-13H2,(H,24,25)/t19-/m1/s1
InChIKeyCNHBJEZQXJKDBC-LJQANCHMSA-N
MW363.38 g/mol
LogP3.59
Rot. Bonds5

About N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 99708862) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID99708862
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)16-8-5-14(6-9-16)7-10-18(25)24-13-19(26)12-11-15-3-1-2-4-17(15)19/h1-6,8-9,26H,7,10-13H2,(H,24,25)/t19-/m1/s1
InChIKeyCNHBJEZQXJKDBC-LJQANCHMSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 99708862) is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CNHBJEZQXJKDBC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)16-8-5-14(6-9-16)7-10-18(25)24-13-19(26)12-11-15-3-1-2-4-17(15)19/h1-6,8-9,26H,7,10-13H2,(H,24,25)/t19-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 363.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 99708862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).