N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

C14H17ClF3N3O2 — CID 8711935

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N(C)C
InChIInChI=1S/C14H17ClF3N3O2/c1-20(2)13(23)8-21(3)7-12(22)19-11-6-9(14(16,17)18)4-5-10(11)15/h4-6H,7-8H2,1-3H3,(H,19,22)
InChIKeyBNTPNQFPPLHAJR-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.32
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8711935) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8711935
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N(C)C
InChIInChI=1S/C14H17ClF3N3O2/c1-20(2)13(23)8-21(3)7-12(22)19-11-6-9(14(16,17)18)4-5-10(11)15/h4-6H,7-8H2,1-3H3,(H,19,22)
InChIKeyBNTPNQFPPLHAJR-UHFFFAOYSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588758
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92664037
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (CID 8711935) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N(C)C.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is BNTPNQFPPLHAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O2/c1-20(2)13(23)8-21(3)7-12(22)19-11-6-9(14(16,17)18)4-5-10(11)15/h4-6H,7-8H2,1-3H3,(H,19,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 351.76 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8711935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).