2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H14Cl2F3N3O2 — CID 166229992

IUPAC2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)N(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2F3N3O2/c1-20(6-11(22)19-7-13(16,17)18)12(23)21(2)10-5-8(14)3-4-9(10)15/h3-5H,6-7H2,1-2H3,(H,19,22)
InChIKeySAZQPDGNMLKNNV-UHFFFAOYSA-N
MW372.17 g/mol
LogP3.16
Rot. Bonds4

About 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 166229992) has the molecular formula C13H14Cl2F3N3O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID166229992
Molecular FormulaC13H14Cl2F3N3O2
Molecular Weight372.17 g/mol
Exact Mass371.04
IUPAC Name2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)N(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2F3N3O2/c1-20(6-11(22)19-7-13(16,17)18)12(23)21(2)10-5-8(14)3-4-9(10)15/h3-5H,6-7H2,1-2H3,(H,19,22)
InChIKeySAZQPDGNMLKNNV-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61110031
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
CID 81228294
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55849078
2-amino-4-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 63110244
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-3-oxopropanoic acid
CID 114897590
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 166229992) is 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C(=O)N(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SAZQPDGNMLKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F3N3O2/c1-20(6-11(22)19-7-13(16,17)18)12(23)21(2)10-5-8(14)3-4-9(10)15/h3-5H,6-7H2,1-2H3,(H,19,22).
What are the key properties of 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 372.17 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 166229992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).