2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C19H19ClF3N3O3 — CID 2587567

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C19H19ClF3N3O3/c1-3-12-6-4-5-7-15(12)24-16(27)10-25(2)17(28)11-26-9-13(19(21,22)23)8-14(20)18(26)29/h4-9H,3,10-11H2,1-2H3,(H,24,27)
InChIKeyPTABNQMGMFKWFU-UHFFFAOYSA-N
MW429.83 g/mol
LogP3.18
Rot. Bonds6

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 2587567) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID2587567
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C19H19ClF3N3O3/c1-3-12-6-4-5-7-15(12)24-16(27)10-25(2)17(28)11-26-9-13(19(21,22)23)8-14(20)18(26)29/h4-9H,3,10-11H2,1-2H3,(H,24,27)
InChIKeyPTABNQMGMFKWFU-UHFFFAOYSA-N
XLogP3.18
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 2587567) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is PTABNQMGMFKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-3-12-6-4-5-7-15(12)24-16(27)10-25(2)17(28)11-26-9-13(19(21,22)23)8-14(20)18(26)29/h4-9H,3,10-11H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 429.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 2587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).