N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide

C11H10BrF2NOS — CID 115594443

IUPACN-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
SMILESC=C(Br)CNC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C11H10BrF2NOS/c1-7(12)6-15-10(16)8-4-2-3-5-9(8)17-11(13)14/h2-5,11H,1,6H2,(H,15,16)
InChIKeyBCOBLMLHPISQSP-UHFFFAOYSA-N
MW322.17 g/mol
LogP3.64
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide

N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide (PubChem CID 115594443) has the molecular formula C11H10BrF2NOS and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
PubChem CID115594443
Molecular FormulaC11H10BrF2NOS
Molecular Weight322.17 g/mol
Exact Mass320.96
IUPAC NameN-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
SMILESC=C(Br)CNC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C11H10BrF2NOS/c1-7(12)6-15-10(16)8-4-2-3-5-9(8)17-11(13)14/h2-5,11H,1,6H2,(H,15,16)
InChIKeyBCOBLMLHPISQSP-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627
2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279883
6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid
CID 43091720
2-(difluoromethylsulfanyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800613
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanedioic acid
CID 78910261

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide (CID 115594443) is N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide is C=C(Br)CNC(=O)c1ccccc1SC(F)F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide?
The InChIKey is BCOBLMLHPISQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NOS/c1-7(12)6-15-10(16)8-4-2-3-5-9(8)17-11(13)14/h2-5,11H,1,6H2,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide?
N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide has a molecular weight of 322.17 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 115594443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).