N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H10ClFN4OS — CID 582348

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN4OS/c1-17-6-14-16-11(17)19-5-10(18)15-7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,15,18)
InChIKeyIDDIWWLRTWWLRU-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.34
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 582348) has the molecular formula C11H10ClFN4OS and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID582348
Molecular FormulaC11H10ClFN4OS
Molecular Weight300.75 g/mol
Exact Mass300.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN4OS/c1-17-6-14-16-11(17)19-5-10(18)15-7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,15,18)
InChIKeyIDDIWWLRTWWLRU-UHFFFAOYSA-N
XLogP2.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
N-(3,4-dichlorophenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 712247
Cambridge id 6259403
CID 738845
2-[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide
CID 1292029
3-(4-chlorophenyl)-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 5524537
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 712474
N-(4-acetamidophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 861930
N-(4-chlorophenyl)-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 864672
N-(3-chlorophenyl)-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 864673

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 582348) is N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IDDIWWLRTWWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4OS/c1-17-6-14-16-11(17)19-5-10(18)15-7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,15,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 300.75 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 582348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).