2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide

C14H11Cl2FN2OS — CID 79130934

IUPAC2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C14H11Cl2FN2OS/c15-10-3-1-8(5-11(10)16)19-14(20)7-21-9-2-4-13(18)12(17)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeyCEXUQIXHDVOOGQ-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide (PubChem CID 79130934) has the molecular formula C14H11Cl2FN2OS and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
PubChem CID79130934
Molecular FormulaC14H11Cl2FN2OS
Molecular Weight345.23 g/mol
Exact Mass344.00
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C14H11Cl2FN2OS/c15-10-3-1-8(5-11(10)16)19-14(20)7-21-9-2-4-13(18)12(17)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeyCEXUQIXHDVOOGQ-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 43303534
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 79130220

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide (CID 79130934) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is CEXUQIXHDVOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2OS/c15-10-3-1-8(5-11(10)16)19-14(20)7-21-9-2-4-13(18)12(17)6-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 345.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 79130934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).