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

C17H14Cl2F3N3O3 — CID 24979290

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C17H14Cl2F3N3O3/c1-24(8-14(26)23-13-5-3-2-4-11(13)18)15(27)9-25-7-10(17(20,21)22)6-12(19)16(25)28/h2-7H,8-9H2,1H3,(H,23,26)
InChIKeyDGWVODPCXRQKBX-UHFFFAOYSA-N
MW436.22 g/mol
LogP3.27
Rot. Bonds5

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

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide (PubChem CID 24979290) has the molecular formula C17H14Cl2F3N3O3 and a molecular weight of 436.22 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide
PubChem CID24979290
Molecular FormulaC17H14Cl2F3N3O3
Molecular Weight436.22 g/mol
Exact Mass435.04
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C17H14Cl2F3N3O3/c1-24(8-14(26)23-13-5-3-2-4-11(13)18)15(27)9-25-7-10(17(20,21)22)6-12(19)16(25)28/h2-7H,8-9H2,1H3,(H,23,26)
InChIKeyDGWVODPCXRQKBX-UHFFFAOYSA-N
XLogP3.27
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide (CID 24979290) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide?
The InChIKey is DGWVODPCXRQKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O3/c1-24(8-14(26)23-13-5-3-2-4-11(13)18)15(27)9-25-7-10(17(20,21)22)6-12(19)16(25)28/h2-7H,8-9H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide has a molecular weight of 436.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 24979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).