N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide

C15H13F2NOS — CID 9165699

IUPACN-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H13F2NOS/c1-20-9-10-2-4-11(5-3-10)15(19)18-12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCVYSWJYZLBHVCQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.08
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide

N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 9165699) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID9165699
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H13F2NOS/c1-20-9-10-2-4-11(5-3-10)15(19)18-12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCVYSWJYZLBHVCQ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 55813445
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
CID 86930596
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide (CID 9165699) is N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is CVYSWJYZLBHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-20-9-10-2-4-11(5-3-10)15(19)18-12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide?
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 293.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9165699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).