5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide

C12H9BrF5NO — CID 146021313

IUPAC5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CC(F)(F)C1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C12H9BrF5NO/c13-6-1-2-9(12(16,17)18)8(3-6)10(20)19-7-4-11(14,15)5-7/h1-3,7H,4-5H2,(H,19,20)
InChIKeyWCJOCNKEAFHRFZ-UHFFFAOYSA-N
MW358.10 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide

5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide (PubChem CID 146021313) has the molecular formula C12H9BrF5NO and a molecular weight of 358.10 g/mol. Its IUPAC name is 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide
PubChem CID146021313
Molecular FormulaC12H9BrF5NO
Molecular Weight358.10 g/mol
Exact Mass356.98
IUPAC Name5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CC(F)(F)C1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C12H9BrF5NO/c13-6-1-2-9(12(16,17)18)8(3-6)10(20)19-7-4-11(14,15)5-7/h1-3,7H,4-5H2,(H,19,20)
InChIKeyWCJOCNKEAFHRFZ-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide
CID 176508179
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
CID 104956518
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-(3,3-difluorocyclobutyl)-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 87153085
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide
CID 178083522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide (CID 146021313) is 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide is O=C(NC1CC(F)(F)C1)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide?
The InChIKey is WCJOCNKEAFHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF5NO/c13-6-1-2-9(12(16,17)18)8(3-6)10(20)19-7-4-11(14,15)5-7/h1-3,7H,4-5H2,(H,19,20).
What are the key properties of 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide?
5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide has a molecular weight of 358.10 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146021313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).