4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C11H12F3NO3 — CID 103957412

IUPAC4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCc1cc(C(=O)NCC(O)C(F)(F)F)ccc1O
InChIInChI=1S/C11H12F3NO3/c1-6-4-7(2-3-8(6)16)10(18)15-5-9(17)11(12,13)14/h2-4,9,16-17H,5H2,1H3,(H,15,18)
InChIKeyRERUQSLLVULELD-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.35
Rot. Bonds3

About 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103957412) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103957412
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCc1cc(C(=O)NCC(O)C(F)(F)F)ccc1O
InChIInChI=1S/C11H12F3NO3/c1-6-4-7(2-3-8(6)16)10(18)15-5-9(17)11(12,13)14/h2-4,9,16-17H,5H2,1H3,(H,15,18)
InChIKeyRERUQSLLVULELD-UHFFFAOYSA-N
XLogP1.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)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

3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
CID 114264190

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103957412) is 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is Cc1cc(C(=O)NCC(O)C(F)(F)F)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is RERUQSLLVULELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-6-4-7(2-3-8(6)16)10(18)15-5-9(17)11(12,13)14/h2-4,9,16-17H,5H2,1H3,(H,15,18).
What are the key properties of 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 263.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103957412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).