2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C26H21F3N2O2 — CID 66637338

IUPAC2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(C(O)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)21-10-8-18(9-11-21)14-16-31(25(33)24(32)19-5-2-1-3-6-19)22-12-13-23-20(17-22)7-4-15-30-23/h1-13,15,17,24,32H,14,16H2
InChIKeyBVKDANMJUXPDJC-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.56
Rot. Bonds6

About 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 66637338) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID66637338
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(C(O)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)21-10-8-18(9-11-21)14-16-31(25(33)24(32)19-5-2-1-3-6-19)22-12-13-23-20(17-22)7-4-15-30-23/h1-13,15,17,24,32H,14,16H2
InChIKeyBVKDANMJUXPDJC-UHFFFAOYSA-N
XLogP5.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
2-amino-N-(2-methoxy-3-pyridinyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007568
N-(3,4-dimethoxyphenyl)-2-phenyl-N'-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 25011804
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
(4S)-1-quinolin-6-yl-4-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 159044267
[(1S)-2-[3,4-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]anilino]-2-oxo-1-phenylethyl]carbamic acid
CID 174614053
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-N,N-diethyl-2-phenylbut-3-enamide
CID 70298408
(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 68725094
2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 158682423
2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25181697
(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 66637478

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 66637338) is 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(C(O)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1.
What is the InChIKey of 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is BVKDANMJUXPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c27-26(28,29)21-10-8-18(9-11-21)14-16-31(25(33)24(32)19-5-2-1-3-6-19)22-12-13-23-20(17-22)7-4-15-30-23/h1-13,15,17,24,32H,14,16H2.
What are the key properties of 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 450.46 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 66637338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).