N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H15F5N2O3 — CID 84602635

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H15F5N2O3/c1-23(8-11-2-5-13(6-3-11)27-16(18)19)15(26)10-24-9-12(17(20,21)22)4-7-14(24)25/h2-7,9,16H,8,10H2,1H3
InChIKeyQGUVHOIOALZYHQ-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 84602635) has the molecular formula C17H15F5N2O3 and a molecular weight of 390.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID84602635
Molecular FormulaC17H15F5N2O3
Molecular Weight390.31 g/mol
Exact Mass390.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H15F5N2O3/c1-23(8-11-2-5-13(6-3-11)27-16(18)19)15(26)10-24-9-12(17(20,21)22)4-7-14(24)25/h2-7,9,16H,8,10H2,1H3
InChIKeyQGUVHOIOALZYHQ-UHFFFAOYSA-N
XLogP3.13
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 84602635) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is QGUVHOIOALZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O3/c1-23(8-11-2-5-13(6-3-11)27-16(18)19)15(26)10-24-9-12(17(20,21)22)4-7-14(24)25/h2-7,9,16H,8,10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 390.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 84602635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).