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

C14H12ClFN2OS — CID 29278790

IUPACN-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESNc1cc(Cl)ccc1NC(=O)CSc1ccccc1F
InChIInChI=1S/C14H12ClFN2OS/c15-9-5-6-12(11(17)7-9)18-14(19)8-20-13-4-2-1-3-10(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyZERMMNIAWUMOAN-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.79
Rot. Bonds4

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

N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 29278790) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID29278790
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESNc1cc(Cl)ccc1NC(=O)CSc1ccccc1F
InChIInChI=1S/C14H12ClFN2OS/c15-9-5-6-12(11(17)7-9)18-14(19)8-20-13-4-2-1-3-10(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyZERMMNIAWUMOAN-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

N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104647
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29268840

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 29278790) is N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide is Nc1cc(Cl)ccc1NC(=O)CSc1ccccc1F.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is ZERMMNIAWUMOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c15-9-5-6-12(11(17)7-9)18-14(19)8-20-13-4-2-1-3-10(13)16/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)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-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 29278790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).