2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide

C14H11BrClFN2OS — CID 43304005

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
SMILESNc1cc(F)ccc1SCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrClFN2OS/c15-8-1-3-12(10(16)5-8)19-14(20)7-21-13-4-2-9(17)6-11(13)18/h1-6H,7,18H2,(H,19,20)
InChIKeyWYCJWICBFRRPEL-UHFFFAOYSA-N
MW389.68 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 43304005) has the molecular formula C14H11BrClFN2OS and a molecular weight of 389.68 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
PubChem CID43304005
Molecular FormulaC14H11BrClFN2OS
Molecular Weight389.68 g/mol
Exact Mass387.94
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
SMILESNc1cc(F)ccc1SCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrClFN2OS/c15-8-1-3-12(10(16)5-8)19-14(20)7-21-13-4-2-9(17)6-11(13)18/h1-6H,7,18H2,(H,19,20)
InChIKeyWYCJWICBFRRPEL-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 54.55
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-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1304646
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide (CID 43304005) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide is Nc1cc(F)ccc1SCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is WYCJWICBFRRPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2OS/c15-8-1-3-12(10(16)5-8)19-14(20)7-21-13-4-2-9(17)6-11(13)18/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 389.68 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 43304005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).