N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide

C15H13F2NOS — CID 7731668

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C15H13F2NOS/c1-10-3-2-4-11(9-10)14(19)18-12-5-7-13(8-6-12)20-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyWKRMUCLTQPILSM-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.56
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide (PubChem CID 7731668) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
PubChem CID7731668
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C15H13F2NOS/c1-10-3-2-4-11(9-10)14(19)18-12-5-7-13(8-6-12)20-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyWKRMUCLTQPILSM-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22775346
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26499284
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095316
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
N-[4-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 23097973
N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55346201
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095314

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide (CID 7731668) is N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide?
The InChIKey is WKRMUCLTQPILSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-10-3-2-4-11(9-10)14(19)18-12-5-7-13(8-6-12)20-15(16)17/h2-9,15H,1H3,(H,18,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 7731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).