N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C19H21F3N2O3 — CID 55543815

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cn2cccc(C(F)(F)F)c2=O)C(C)C)cc1
InChIInChI=1S/C19H21F3N2O3/c1-12(2)17(13-6-8-14(27-3)9-7-13)23-16(25)11-24-10-4-5-15(18(24)26)19(20,21)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)
InChIKeyMWSOJORUQCMFQO-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.39
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55543815) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55543815
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cn2cccc(C(F)(F)F)c2=O)C(C)C)cc1
InChIInChI=1S/C19H21F3N2O3/c1-12(2)17(13-6-8-14(27-3)9-7-13)23-16(25)11-24-10-4-5-15(18(24)26)19(20,21)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)
InChIKeyMWSOJORUQCMFQO-UHFFFAOYSA-N
XLogP3.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55543815) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is COc1ccc(C(NC(=O)Cn2cccc(C(F)(F)F)c2=O)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MWSOJORUQCMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-12(2)17(13-6-8-14(27-3)9-7-13)23-16(25)11-24-10-4-5-15(18(24)26)19(20,21)22/h4-10,12,17H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 382.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55543815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).