4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide

C18H18F4N2O3 — CID 10000200

IUPAC4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1cccnc1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C18H18F4N2O3/c1-16(2,13-8-11(19)5-6-14(13)25)10-17(27,18(20,21)22)15(26)24-12-4-3-7-23-9-12/h3-9,25,27H,10H2,1-2H3,(H,24,26)
InChIKeyTYBYHDWTKQRIRM-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.53
Rot. Bonds5

About 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide

4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide (PubChem CID 10000200) has the molecular formula C18H18F4N2O3 and a molecular weight of 386.35 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide
PubChem CID10000200
Molecular FormulaC18H18F4N2O3
Molecular Weight386.35 g/mol
Exact Mass386.13
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1cccnc1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C18H18F4N2O3/c1-16(2,13-8-11(19)5-6-14(13)25)10-17(27,18(20,21)22)15(26)24-12-4-3-7-23-9-12/h3-9,25,27H,10H2,1-2H3,(H,24,26)
InChIKeyTYBYHDWTKQRIRM-UHFFFAOYSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide 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

4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide
CID 10005553
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide;5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one
CID 161081544
2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10287636
N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 11753938
2-benzyl-N-(3,5-dimethylphenyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
CID 10216725
4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol
CID 173105492
N-[3,5-bis(trifluoromethyl)phenyl]-5-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanamide
CID 87313305
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
CID 58959924
4-fluoro-2-[(4R)-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
CID 46937290
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
4-[5-fluoro-2-(methanesulfonamido)phenyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
CID 10209262

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide (CID 10000200) is 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide is CC(C)(CC(O)(C(=O)Nc1cccnc1)C(F)(F)F)c1cc(F)ccc1O.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide?
The InChIKey is TYBYHDWTKQRIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3/c1-16(2,13-8-11(19)5-6-14(13)25)10-17(27,18(20,21)22)15(26)24-12-4-3-7-23-9-12/h3-9,25,27H,10H2,1-2H3,(H,24,26).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide?
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide has a molecular weight of 386.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 10000200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).