N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C18H18F3N3O3 — CID 2460559

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C18H18F3N3O3/c1-12-3-6-14(7-4-12)22-15(25)10-23(2)17(27)11-24-9-13(18(19,20)21)5-8-16(24)26/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyUSETVGFPWYFYHR-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.27
Rot. Bonds5

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

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2460559) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2460559
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C18H18F3N3O3/c1-12-3-6-14(7-4-12)22-15(25)10-23(2)17(27)11-24-9-13(18(19,20)21)5-8-16(24)26/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyUSETVGFPWYFYHR-UHFFFAOYSA-N
XLogP2.27
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2460559) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is USETVGFPWYFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-12-3-6-14(7-4-12)22-15(25)10-23(2)17(27)11-24-9-13(18(19,20)21)5-8-16(24)26/h3-9H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2460559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).