2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide

C11H8BrF6NO2 — CID 103819616

IUPAC2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H8BrF6NO2/c12-7-2-1-5(10(13,14)15)3-6(7)9(21)19-4-8(20)11(16,17)18/h1-3,8,20H,4H2,(H,19,21)
InChIKeyWHCSKHSZUDALSG-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.12
Rot. Bonds3

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

2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide (PubChem CID 103819616) has the molecular formula C11H8BrF6NO2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
PubChem CID103819616
Molecular FormulaC11H8BrF6NO2
Molecular Weight380.08 g/mol
Exact Mass378.96
IUPAC Name2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H8BrF6NO2/c12-7-2-1-5(10(13,14)15)3-6(7)9(21)19-4-8(20)11(16,17)18/h1-3,8,20H,4H2,(H,19,21)
InChIKeyWHCSKHSZUDALSG-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
CID 83142426
methyl 2-bromo-3-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 103492494
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
2-bromo-N-(3-methylsulfinylbutyl)-5-(trifluoromethyl)benzamide
CID 115742493
(2S,3R)-2-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 104965036
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-5-(trifluoromethyl)benzamide
CID 115455978
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide (CID 103819616) is 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide is O=C(NCC(O)C(F)(F)F)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is WHCSKHSZUDALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF6NO2/c12-7-2-1-5(10(13,14)15)3-6(7)9(21)19-4-8(20)11(16,17)18/h1-3,8,20H,4H2,(H,19,21).
What are the key properties of 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide?
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 380.08 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103819616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).