4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide

C18H17F4NO2 — CID 157203592

IUPAC4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CC(Cc1ccc(O)c(F)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H17F4NO2/c1-23(14-5-3-2-4-6-14)17(25)11-13(18(20,21)22)9-12-7-8-16(24)15(19)10-12/h2-8,10,13,24H,9,11H2,1H3
InChIKeyXXSOQUMDALFRLJ-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.31
Rot. Bonds5

About 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide

4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide (PubChem CID 157203592) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide
PubChem CID157203592
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CC(Cc1ccc(O)c(F)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H17F4NO2/c1-23(14-5-3-2-4-6-14)17(25)11-13(18(20,21)22)9-12-7-8-16(24)15(19)10-12/h2-8,10,13,24H,9,11H2,1H3
InChIKeyXXSOQUMDALFRLJ-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide 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

diethyl 2-[(3-fluoro-4-hydroxyphenyl)methyl]propanedioate
CID 71321162
2-amino-3-(3-(18F)fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 176816292
(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 67425515
3-[(3-chloro-4-fluorophenyl)methyl]-4,4,4-trifluorobutanoic acid
CID 82534840
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
CID 68871257
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
CID 107693926
N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
CID 28755736
CID 59369453
CID 59369453
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide (CID 157203592) is 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide is CN(C(=O)CC(Cc1ccc(O)c(F)c1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide?
The InChIKey is XXSOQUMDALFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-23(14-5-3-2-4-6-14)17(25)11-13(18(20,21)22)9-12-7-8-16(24)15(19)10-12/h2-8,10,13,24H,9,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide?
4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide has a molecular weight of 355.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 157203592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).