2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide

C14H9BrF3NO2 — CID 170794904

IUPAC2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C14H9BrF3NO2/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyMVGWXSSYLXCQQP-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.11
Rot. Bonds3

About 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide

2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 170794904) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID170794904
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C14H9BrF3NO2/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyMVGWXSSYLXCQQP-UHFFFAOYSA-N
XLogP4.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
methyl 4-(4-bromo-3-carbamoylphenyl)benzoate
CID 170794910
N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 118180284
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
pyridine;4-[4-(trifluoromethoxy)phenyl]benzamide
CID 155075156

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide (CID 170794904) is 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide is NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Br.
What is the InChIKey of 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is MVGWXSSYLXCQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide?
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 360.13 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 170794904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).