3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide

C15H14ClFN2OS — CID 79128265

IUPAC3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESNc1ccc(Cl)c(SCCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H14ClFN2OS/c16-11-6-5-10(18)9-14(11)21-8-7-15(20)19-13-4-2-1-3-12(13)17/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyQKZDQCDPJCGMDA-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.18
Rot. Bonds5

About 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide

3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide (PubChem CID 79128265) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
PubChem CID79128265
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESNc1ccc(Cl)c(SCCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H14ClFN2OS/c16-11-6-5-10(18)9-14(11)21-8-7-15(20)19-13-4-2-1-3-12(13)17/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyQKZDQCDPJCGMDA-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.18
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

3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 43302341
N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567890
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
3-(5-amino-2-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79133719
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43303444
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66220595
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
3-(3-aminobutylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66234179
4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
CID 94281790
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide (CID 79128265) is 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide is Nc1ccc(Cl)c(SCCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The InChIKey is QKZDQCDPJCGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-11-6-5-10(18)9-14(11)21-8-7-15(20)19-13-4-2-1-3-12(13)17/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide has a molecular weight of 324.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 79128265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).