2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide

C11H12F3NO2 — CID 173040109

IUPAC2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide
SMILESNC(=O)c1c(CCCO)cccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)8-5-1-3-7(4-2-6-16)9(8)10(15)17/h1,3,5,16H,2,4,6H2,(H2,15,17)
InChIKeyDVAZBFZRQMVAHR-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide

2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide (PubChem CID 173040109) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide
PubChem CID173040109
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide
SMILESNC(=O)c1c(CCCO)cccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)8-5-1-3-7(4-2-6-16)9(8)10(15)17/h1,3,5,16H,2,4,6H2,(H2,15,17)
InChIKeyDVAZBFZRQMVAHR-UHFFFAOYSA-N
XLogP1.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hex-5-enyl-6-(trifluoromethyl)benzamide
CID 173481194
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
CID 70608847
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
2-tert-butyl-6-(2,2-dimethylpropyl)benzamide
CID 66973629
ethyl 2-(2-cyanoethyl)-6-(trifluoromethyl)benzoate
CID 134640914
2,6-bis(trifluoromethyl)benzoate
CID 6927052
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
2-amino-3-(3-hydroxypropyl)benzoic acid
CID 121470801
ethyl 2-(2-oxopropyl)-6-(trifluoromethyl)benzoate
CID 134640898
2,6-bis(trifluoromethyl)benzoate;copper(1+)
CID 118193497

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide (CID 173040109) is 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide is NC(=O)c1c(CCCO)cccc1C(F)(F)F.
What is the InChIKey of 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide?
The InChIKey is DVAZBFZRQMVAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)8-5-1-3-7(4-2-6-16)9(8)10(15)17/h1,3,5,16H,2,4,6H2,(H2,15,17).
What are the key properties of 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide?
2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 173040109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).