N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide

C14H12ClFN2OS — CID 29283740

IUPACN-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESNc1ccc(F)c(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClFN2OS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(17)3-6-12(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyIPHOTHYHXSORIN-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.79
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 29283740) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID29283740
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESNc1ccc(F)c(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClFN2OS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(17)3-6-12(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyIPHOTHYHXSORIN-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.79
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-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 43298970
N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62409558
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
N-(5-amino-2-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61219878
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602938
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 29283740) is N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide is Nc1ccc(F)c(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is IPHOTHYHXSORIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(17)3-6-12(13)16/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 310.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 29283740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).