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

C22H16F6N2O — CID 42640092

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C22H16F6N2O/c1-13-8-16(6-7-29-13)15-2-4-19(5-3-15)30-20(31)11-14-9-17(21(23,24)25)12-18(10-14)22(26,27)28/h2-10,12H,11H2,1H3,(H,30,31)
InChIKeyZZNSTCGBKYJVKR-UHFFFAOYSA-N
MW438.37 g/mol
LogP6.28
Rot. Bonds4

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 42640092) has the molecular formula C22H16F6N2O and a molecular weight of 438.37 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID42640092
Molecular FormulaC22H16F6N2O
Molecular Weight438.37 g/mol
Exact Mass438.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C22H16F6N2O/c1-13-8-16(6-7-29-13)15-2-4-19(5-3-15)30-20(31)11-14-9-17(21(23,24)25)12-18(10-14)22(26,27)28/h2-10,12H,11H2,1H3,(H,30,31)
InChIKeyZZNSTCGBKYJVKR-UHFFFAOYSA-N
XLogP6.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 42640092) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is ZZNSTCGBKYJVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O/c1-13-8-16(6-7-29-13)15-2-4-19(5-3-15)30-20(31)11-14-9-17(21(23,24)25)12-18(10-14)22(26,27)28/h2-10,12H,11H2,1H3,(H,30,31).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 438.37 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 42640092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).