2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

C24H21F4NO3 — CID 166631661

IUPAC2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)c2F)cc1
InChIInChI=1S/C24H21F4NO3/c1-23(2,31)15-10-12-16(13-11-15)29-22(30)19-8-5-7-18(21(19)25)17-6-3-4-9-20(17)32-14-24(26,27)28/h3-13,31H,14H2,1-2H3,(H,29,30)
InChIKeyOCDCYNQCYZMKDD-UHFFFAOYSA-N
MW447.43 g/mol
LogP5.91
Rot. Bonds6

About 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 166631661) has the molecular formula C24H21F4NO3 and a molecular weight of 447.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID166631661
Molecular FormulaC24H21F4NO3
Molecular Weight447.43 g/mol
Exact Mass447.15
IUPAC Name2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)c2F)cc1
InChIInChI=1S/C24H21F4NO3/c1-23(2,31)15-10-12-16(13-11-15)29-22(30)19-8-5-7-18(21(19)25)17-6-3-4-9-20(17)32-14-24(26,27)28/h3-13,31H,14H2,1-2H3,(H,29,30)
InChIKeyOCDCYNQCYZMKDD-UHFFFAOYSA-N
XLogP5.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.43
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]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

2,5-difluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzamide
CID 4598002
2-[(4-fluorobenzyl)oxy]-N-phenylbenzamide
CID 977943
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide
CID 118727115
N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
CID 118727124
N-[4-methyl-3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044108
3-[[[4-[(4-Fluorophenyl)methoxy]-3-methylphenyl]methyl]amino]-benzoic acid
CID 155529721
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-methoxybenzamide
CID 1188388
N-{3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl}benzamide
CID 902794
2-{2-[N-(4-ethoxyphenyl)carbamoyl]phenyl}benzoic acid
CID 1101206
N-(4-fluorophenyl)-4-(phenoxymethyl)benzamide
CID 2195056
N-(3-acetylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 2428269
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide
CID 2741296

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 166631661) is 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is CC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)c2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is OCDCYNQCYZMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4NO3/c1-23(2,31)15-10-12-16(13-11-15)29-22(30)19-8-5-7-18(21(19)25)17-6-3-4-9-20(17)32-14-24(26,27)28/h3-13,31H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 447.43 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 166631661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).