3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide

C17H18FNO2 — CID 105058932

IUPAC3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CO)c2ccccc2)cc1F
InChIInChI=1S/C17H18FNO2/c1-12-8-9-13(10-15(12)18)16(21)19-17(2,11-20)14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyXXVDGQREOGQCJJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.77
Rot. Bonds4

About 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide

3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide (PubChem CID 105058932) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
PubChem CID105058932
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CO)c2ccccc2)cc1F
InChIInChI=1S/C17H18FNO2/c1-12-8-9-13(10-15(12)18)16(21)19-17(2,11-20)14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyXXVDGQREOGQCJJ-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide 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

N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994349
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 120587900
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide (CID 105058932) is 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(CO)c2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide?
The InChIKey is XXVDGQREOGQCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-8-9-13(10-15(12)18)16(21)19-17(2,11-20)14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide?
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 105058932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).