N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide

C15H15BrFNO2S — CID 23772191

IUPACN-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide
SMILESCCC(SCc1ccco1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO2S/c1-2-14(21-9-11-4-3-7-20-11)15(19)18-13-6-5-10(16)8-12(13)17/h3-8,14H,2,9H2,1H3,(H,18,19)
InChIKeyDLEYFOHZBIWHLM-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.83
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide

N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide (PubChem CID 23772191) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide
PubChem CID23772191
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide
SMILESCCC(SCc1ccco1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO2S/c1-2-14(21-9-11-4-3-7-20-11)15(19)18-13-6-5-10(16)8-12(13)17/h3-8,14H,2,9H2,1H3,(H,18,19)
InChIKeyDLEYFOHZBIWHLM-UHFFFAOYSA-N
XLogP4.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
CID 23914414
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 18903959
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907991
N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906551
N-(4-bromo-2-fluorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylbutanamide
CID 18902519
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide (CID 23772191) is N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide is CCC(SCc1ccco1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide?
The InChIKey is DLEYFOHZBIWHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-2-14(21-9-11-4-3-7-20-11)15(19)18-13-6-5-10(16)8-12(13)17/h3-8,14H,2,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide?
N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide has a molecular weight of 372.26 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide is sourced from PubChem (CID 23772191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).