N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide

C18H16F3NO2 — CID 95983115

IUPACN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-6-3-5-13(10-14)16(23)22-11-17(24)9-8-12-4-1-2-7-15(12)17/h1-7,10,24H,8-9,11H2,(H,22,23)/t17-/m0/s1
InChIKeyXLHLPATWAZKUAF-KRWDZBQOSA-N
MW335.33 g/mol
LogP3.27
Rot. Bonds3

About N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 95983115) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID95983115
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-6-3-5-13(10-14)16(23)22-11-17(24)9-8-12-4-1-2-7-15(12)17/h1-7,10,24H,8-9,11H2,(H,22,23)/t17-/m0/s1
InChIKeyXLHLPATWAZKUAF-KRWDZBQOSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71782220
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(2-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 114761880

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide (CID 95983115) is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide is O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XLHLPATWAZKUAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)14-6-3-5-13(10-14)16(23)22-11-17(24)9-8-12-4-1-2-7-15(12)17/h1-7,10,24H,8-9,11H2,(H,22,23)/t17-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 335.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 95983115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).