2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C22H16F6N2O2 — CID 72544410

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C22H16F6N2O2/c1-12-8-14(6-7-29-12)13-2-4-18(5-3-13)30-20(32)19(31)15-9-16(21(23,24)25)11-17(10-15)22(26,27)28/h2-11,19,31H,1H3,(H,30,32)
InChIKeyIWKLVNDMNBDAIL-UHFFFAOYSA-N
MW454.37 g/mol
LogP5.77
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 72544410) has the molecular formula C22H16F6N2O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID72544410
Molecular FormulaC22H16F6N2O2
Molecular Weight454.37 g/mol
Exact Mass454.11
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C22H16F6N2O2/c1-12-8-14(6-7-29-12)13-2-4-18(5-3-13)30-20(32)19(31)15-9-16(21(23,24)25)11-17(10-15)22(26,27)28/h2-11,19,31H,1H3,(H,30,32)
InChIKeyIWKLVNDMNBDAIL-UHFFFAOYSA-N
XLogP5.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.37
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 72544410) is 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is IWKLVNDMNBDAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O2/c1-12-8-14(6-7-29-12)13-2-4-18(5-3-13)30-20(32)19(31)15-9-16(21(23,24)25)11-17(10-15)22(26,27)28/h2-11,19,31H,1H3,(H,30,32).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 454.37 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 72544410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).