N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide

C16H15F3N2O2 — CID 13025336

IUPACN-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(C)c1
InChIInChI=1S/C16H15F3N2O2/c1-3-14(22)21-12-5-6-13(10(2)8-12)23-15-7-4-11(9-20-15)16(17,18)19/h4-9H,3H2,1-2H3,(H,21,22)
InChIKeyKLQKUZNZEHQQPI-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.55
Rot. Bonds4

About N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide

N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide (PubChem CID 13025336) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
PubChem CID13025336
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(C)c1
InChIInChI=1S/C16H15F3N2O2/c1-3-14(22)21-12-5-6-13(10(2)8-12)23-15-7-4-11(9-20-15)16(17,18)19/h4-9H,3H2,1-2H3,(H,21,22)
InChIKeyKLQKUZNZEHQQPI-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide (CID 13025336) is N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide is CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is KLQKUZNZEHQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-3-14(22)21-12-5-6-13(10(2)8-12)23-15-7-4-11(9-20-15)16(17,18)19/h4-9H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 324.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 13025336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).