3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide

C16H16FNO2S — CID 9483134

IUPAC3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2S/c1-20-15-8-7-12(11-14(15)17)16(19)18-9-10-21-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyPFQSWVXZDQZVGL-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.36
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide

3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 9483134) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
PubChem CID9483134
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2S/c1-20-15-8-7-12(11-14(15)17)16(19)18-9-10-21-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyPFQSWVXZDQZVGL-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 51275993
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667587
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 61117318
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide (CID 9483134) is 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide is COc1ccc(C(=O)NCCSc2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is PFQSWVXZDQZVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-20-15-8-7-12(11-14(15)17)16(19)18-9-10-21-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 305.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 9483134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).