3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide

C15H14ClFN2OS — CID 43303444

IUPAC3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
SMILESNc1ccc(SCCC(=O)Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H14ClFN2OS/c16-10-2-1-3-12(8-10)19-15(20)6-7-21-14-5-4-11(18)9-13(14)17/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyCYEHGVYFTSONDO-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.18
Rot. Bonds5

About 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide

3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide (PubChem CID 43303444) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
PubChem CID43303444
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
SMILESNc1ccc(SCCC(=O)Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H14ClFN2OS/c16-10-2-1-3-12(8-10)19-15(20)6-7-21-14-5-4-11(18)9-13(14)17/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyCYEHGVYFTSONDO-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-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 79525427
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47152940
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 43303534
3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 79128265
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide
CID 129189700
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide (CID 43303444) is 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide is Nc1ccc(SCCC(=O)Nc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The InChIKey is CYEHGVYFTSONDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-10-2-1-3-12(8-10)19-15(20)6-7-21-14-5-4-11(18)9-13(14)17/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)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-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 43303444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).