N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

C14H11F3N2OS — CID 43345163

IUPACN-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESNc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C14H11F3N2OS/c15-10-4-2-9(6-12(10)17)21-7-14(20)19-8-1-3-11(16)13(18)5-8/h1-6H,7,18H2,(H,19,20)
InChIKeyOZBZQDUGATUCTP-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.42
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 43345163) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID43345163
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESNc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C14H11F3N2OS/c15-10-4-2-9(6-12(10)17)21-7-14(20)19-8-1-3-11(16)13(18)5-8/h1-6H,7,18H2,(H,19,20)
InChIKeyOZBZQDUGATUCTP-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.42
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-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43301917
N-(3-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384600
2-(3,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7737032
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 134019807
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (CID 43345163) is N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is Nc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is OZBZQDUGATUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c15-10-4-2-9(6-12(10)17)21-7-14(20)19-8-1-3-11(16)13(18)5-8/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide has a molecular weight of 312.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 43345163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).