3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide

C16H17FN2OS — CID 61117318

IUPAC3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1c(N)cc(C(=O)NCCSc2ccccc2)cc1F
InChIInChI=1S/C16H17FN2OS/c1-11-14(17)9-12(10-15(11)18)16(20)19-7-8-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeyANNBMBNPZNDGJA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.24
Rot. Bonds5

About 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide

3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 61117318) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
PubChem CID61117318
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1c(N)cc(C(=O)NCCSc2ccccc2)cc1F
InChIInChI=1S/C16H17FN2OS/c1-11-14(17)9-12(10-15(11)18)16(20)19-7-8-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeyANNBMBNPZNDGJA-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 114187122
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methyl-5-nitrobenzamide
CID 55773702
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide (CID 61117318) is 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide is Cc1c(N)cc(C(=O)NCCSc2ccccc2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is ANNBMBNPZNDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-14(17)9-12(10-15(11)18)16(20)19-7-8-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 61117318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).