3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide

C16H15FN2O4S — CID 146154056

IUPAC3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NS(C)(=O)=O)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O4S/c1-10-7-8-11(15(20)19-24(2,22)23)9-14(10)18-16(21)12-5-3-4-6-13(12)17/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeyFAUVYAFQJGKCFE-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.08
Rot. Bonds4

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide (PubChem CID 146154056) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
PubChem CID146154056
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NS(C)(=O)=O)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O4S/c1-10-7-8-11(15(20)19-24(2,22)23)9-14(10)18-16(21)12-5-3-4-6-13(12)17/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeyFAUVYAFQJGKCFE-UHFFFAOYSA-N
XLogP2.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 97249445
2-fluoro-N-[2-methyl-5-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 56543165
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233
2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid
CID 119192334
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide (CID 146154056) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide is Cc1ccc(C(=O)NS(C)(=O)=O)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide?
The InChIKey is FAUVYAFQJGKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-10-7-8-11(15(20)19-24(2,22)23)9-14(10)18-16(21)12-5-3-4-6-13(12)17/h3-9H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide?
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide has a molecular weight of 350.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 146154056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).