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

C17H15F3N2O3 — CID 17409636

IUPACN-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C17H15F3N2O3/c1-11(23)21-8-12-2-4-13(5-3-12)15(24)10-22-9-14(17(18,19)20)6-7-16(22)25/h2-7,9H,8,10H2,1H3,(H,21,23)
InChIKeyHCNBDGBMJLFAHH-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.39
Rot. Bonds5

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

N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide (PubChem CID 17409636) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
PubChem CID17409636
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C17H15F3N2O3/c1-11(23)21-8-12-2-4-13(5-3-12)15(24)10-22-9-14(17(18,19)20)6-7-16(22)25/h2-7,9H,8,10H2,1H3,(H,21,23)
InChIKeyHCNBDGBMJLFAHH-UHFFFAOYSA-N
XLogP2.39
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24504043
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 55315611
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 9118621
1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072410

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide (CID 17409636) is N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide?
The InChIKey is HCNBDGBMJLFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-11(23)21-8-12-2-4-13(5-3-12)15(24)10-22-9-14(17(18,19)20)6-7-16(22)25/h2-7,9H,8,10H2,1H3,(H,21,23).
What are the key properties of N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide?
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide has a molecular weight of 352.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide is sourced from PubChem (CID 17409636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).