N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide

C13H14F3NO2 — CID 95388210

IUPACN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H](O)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)12(19)17-7-11(18)8-5-6-8/h1-4,8,11,18H,5-7H2,(H,17,19)/t11-/m1/s1
InChIKeyUHIHYWKFCKITBL-LLVKDONJSA-N
MW273.25 g/mol
LogP2.21
Rot. Bonds4

About N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide

N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide (PubChem CID 95388210) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
PubChem CID95388210
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H](O)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)12(19)17-7-11(18)8-5-6-8/h1-4,8,11,18H,5-7H2,(H,17,19)/t11-/m1/s1
InChIKeyUHIHYWKFCKITBL-LLVKDONJSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 16662646
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
CID 90498837
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)benzamide
CID 63297170
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide (CID 95388210) is N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@@H](O)C1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is UHIHYWKFCKITBL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)12(19)17-7-11(18)8-5-6-8/h1-4,8,11,18H,5-7H2,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 273.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 95388210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).