N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C24H23F3N2O3 — CID 164531892

IUPACN-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCOCc1ccc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(C(F)(F)F)cn3)cc2)cc1
InChIInChI=1S/C24H23F3N2O3/c1-23(2,32-21-13-10-19(14-28-21)24(25,26)27)22(30)29-20-11-8-18(9-12-20)17-6-4-16(5-7-17)15-31-3/h4-14H,15H2,1-3H3,(H,29,30)
InChIKeyCXZVHWVTIUPEBN-UHFFFAOYSA-N
MW444.45 g/mol
LogP5.71
Rot. Bonds7

About N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 164531892) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID164531892
Molecular FormulaC24H23F3N2O3
Molecular Weight444.45 g/mol
Exact Mass444.17
IUPAC NameN-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCOCc1ccc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(C(F)(F)F)cn3)cc2)cc1
InChIInChI=1S/C24H23F3N2O3/c1-23(2,32-21-13-10-19(14-28-21)24(25,26)27)22(30)29-20-11-8-18(9-12-20)17-6-4-16(5-7-17)15-31-3/h4-14H,15H2,1-3H3,(H,29,30)
InChIKeyCXZVHWVTIUPEBN-UHFFFAOYSA-N
XLogP5.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 164531892) is N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is COCc1ccc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(C(F)(F)F)cn3)cc2)cc1.
What is the InChIKey of N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is CXZVHWVTIUPEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3/c1-23(2,32-21-13-10-19(14-28-21)24(25,26)27)22(30)29-20-11-8-18(9-12-20)17-6-4-16(5-7-17)15-31-3/h4-14H,15H2,1-3H3,(H,29,30).
What are the key properties of N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 444.45 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 164531892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).