2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide

C14H11BrClFN2OS — CID 43305964

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
SMILESNc1cc(Br)ccc1SCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H11BrClFN2OS/c15-8-1-4-13(11(18)5-8)21-7-14(20)19-12-3-2-9(16)6-10(12)17/h1-6H,7,18H2,(H,19,20)
InChIKeySAUQZRCXZCBPIE-UHFFFAOYSA-N
MW389.68 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide

2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 43305964) has the molecular formula C14H11BrClFN2OS and a molecular weight of 389.68 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID43305964
Molecular FormulaC14H11BrClFN2OS
Molecular Weight389.68 g/mol
Exact Mass387.94
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
SMILESNc1cc(Br)ccc1SCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H11BrClFN2OS/c15-8-1-4-13(11(18)5-8)21-7-14(20)19-12-3-2-9(16)6-10(12)17/h1-6H,7,18H2,(H,19,20)
InChIKeySAUQZRCXZCBPIE-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-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 52644614

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide (CID 43305964) is 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide is Nc1cc(Br)ccc1SCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is SAUQZRCXZCBPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2OS/c15-8-1-4-13(11(18)5-8)21-7-14(20)19-12-3-2-9(16)6-10(12)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)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-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 43305964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).