N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide

C11H12F3NO3 — CID 66175998

IUPACN-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)9-4-2-1-3-8(9)10(18)15-5-7(17)6-16/h1-4,7,16-17H,5-6H2,(H,15,18)
InChIKeyFBZYUQXNEVGBNF-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.79
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide

N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide (PubChem CID 66175998) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
PubChem CID66175998
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC NameN-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)9-4-2-1-3-8(9)10(18)15-5-7(17)6-16/h1-4,7,16-17H,5-6H2,(H,15,18)
InChIKeyFBZYUQXNEVGBNF-UHFFFAOYSA-N
XLogP0.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 131701791
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide (CID 66175998) is N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide is O=C(NCC(O)CO)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is FBZYUQXNEVGBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)9-4-2-1-3-8(9)10(18)15-5-7(17)6-16/h1-4,7,16-17H,5-6H2,(H,15,18).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide?
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 263.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 66175998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).