2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide

C15H13F2NO2S — CID 26086758

IUPAC2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C15H13F2NO2S/c1-21-11-6-4-5-10(9-11)18-14(19)12-7-2-3-8-13(12)20-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyGOPAODQRDDUBMT-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.26
Rot. Bonds5

About 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide

2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 26086758) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID26086758
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C15H13F2NO2S/c1-21-11-6-4-5-10(9-11)18-14(19)12-7-2-3-8-13(12)20-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyGOPAODQRDDUBMT-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
N-(4-bromo-3-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 65436031
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 27447613
2-(difluoromethoxy)-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46481565
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 26206682

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide (CID 26086758) is 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is GOPAODQRDDUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-21-11-6-4-5-10(9-11)18-14(19)12-7-2-3-8-13(12)20-15(16)17/h2-9,15H,1H3,(H,18,19).
What are the key properties of 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide?
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 309.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 26086758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).