2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C11H12F3NO3 — CID 103723044

IUPAC2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCOc1ccccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-18-8-5-3-2-4-7(8)10(17)15-6-9(16)11(12,13)14/h2-5,9,16H,6H2,1H3,(H,15,17)
InChIKeyOKVLPUURZHXLOP-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.35
Rot. Bonds4

About 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103723044) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103723044
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCOc1ccccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-18-8-5-3-2-4-7(8)10(17)15-6-9(16)11(12,13)14/h2-5,9,16H,6H2,1H3,(H,15,17)
InChIKeyOKVLPUURZHXLOP-UHFFFAOYSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate
CID 70338940
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
N-(2-cyano-2-methylpropyl)-2-methoxybenzamide
CID 113372695
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103723044) is 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is COc1ccccc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is OKVLPUURZHXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-18-8-5-3-2-4-7(8)10(17)15-6-9(16)11(12,13)14/h2-5,9,16H,6H2,1H3,(H,15,17).
What are the key properties of 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 263.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103723044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).