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

C26H21F3N2O2 — CID 58007579

IUPAC(2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C([C@@H](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/t24-/m0/s1
InChIKeyBVKDANMJUXPDJC-DEOSSOPVSA-N
MW450.46 g/mol
LogP5.56
Rot. Bonds6

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

(2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 58007579) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID58007579
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name(2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C([C@@H](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/t24-/m0/s1
InChIKeyBVKDANMJUXPDJC-DEOSSOPVSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 58007579) is (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C([C@@H](O)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1.
What is the InChIKey of (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is BVKDANMJUXPDJC-DEOSSOPVSA-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/t24-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
(2S)-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 (2S)-2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58007579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).