N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide

C14H15Cl2F3N2O2S — CID 55666998

IUPACN-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CSC(F)(F)F
InChIInChI=1S/C14H15Cl2F3N2O2S/c1-2-5-21(13(23)8-24-14(17,18)19)7-12(22)20-11-6-9(15)3-4-10(11)16/h3-4,6H,2,5,7-8H2,1H3,(H,20,22)
InChIKeyHUEVXJCXYWCFJR-UHFFFAOYSA-N
MW403.25 g/mol
LogP4.42
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide

N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide (PubChem CID 55666998) has the molecular formula C14H15Cl2F3N2O2S and a molecular weight of 403.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
PubChem CID55666998
Molecular FormulaC14H15Cl2F3N2O2S
Molecular Weight403.25 g/mol
Exact Mass402.02
IUPAC NameN-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CSC(F)(F)F
InChIInChI=1S/C14H15Cl2F3N2O2S/c1-2-5-21(13(23)8-24-14(17,18)19)7-12(22)20-11-6-9(15)3-4-10(11)16/h3-4,6H,2,5,7-8H2,1H3,(H,20,22)
InChIKeyHUEVXJCXYWCFJR-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
CID 55328616
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
N-(2,5-dichlorophenyl)-2-[[2-(3-fluorophenoxy)acetyl]-propylamino]acetamide
CID 2709227
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide (CID 55666998) is N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CSC(F)(F)F.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide?
The InChIKey is HUEVXJCXYWCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3N2O2S/c1-2-5-21(13(23)8-24-14(17,18)19)7-12(22)20-11-6-9(15)3-4-10(11)16/h3-4,6H,2,5,7-8H2,1H3,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide?
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide has a molecular weight of 403.25 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 55666998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).