N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C15H8ClF4N3OS — CID 162654769

IUPACN-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1ccc(C(F)(F)F)c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H8ClF4N3OS/c16-11-5-8(2-4-12(11)17)22-13(24)7-25-14-10(15(18,19)20)3-1-9(6-21)23-14/h1-5H,7H2,(H,22,24)
InChIKeyRRNZRRNRLLXQLD-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 162654769) has the molecular formula C15H8ClF4N3OS and a molecular weight of 389.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID162654769
Molecular FormulaC15H8ClF4N3OS
Molecular Weight389.76 g/mol
Exact Mass389.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1ccc(C(F)(F)F)c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H8ClF4N3OS/c16-11-5-8(2-4-12(11)17)22-13(24)7-25-14-10(15(18,19)20)3-1-9(6-21)23-14/h1-5H,7H2,(H,22,24)
InChIKeyRRNZRRNRLLXQLD-UHFFFAOYSA-N
XLogP4.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-CL-PH)-2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)acetamide
CID 1115824
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 3476583
2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 5078950
N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 5299641
2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 714282
N-(4-Chlorophenyl)-2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamide
CID 1744296
2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide
CID 684025
2-{[3-Cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 752160
2-[[3,5-bis(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 2745328
N-(3-chlorophenyl)-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 3594053
2-[(3-cyano-4,6-dimethylpyridin-2-yl)thio]-N-(2-fluorophenyl)acetamide
CID 703299

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 162654769) is N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is N#Cc1ccc(C(F)(F)F)c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is RRNZRRNRLLXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF4N3OS/c16-11-5-8(2-4-12(11)17)22-13(24)7-25-14-10(15(18,19)20)3-1-9(6-21)23-14/h1-5H,7H2,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 389.76 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 162654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).