N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide

C15H11BrF3NO3 — CID 55905383

IUPACN-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11BrF3NO3/c1-22-13-7-4-10(16)8-12(13)20-14(21)9-2-5-11(6-3-9)23-15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyRMDYEOSGTWYFFE-UHFFFAOYSA-N
MW390.16 g/mol
LogP4.61
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide

N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 55905383) has the molecular formula C15H11BrF3NO3 and a molecular weight of 390.16 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
PubChem CID55905383
Molecular FormulaC15H11BrF3NO3
Molecular Weight390.16 g/mol
Exact Mass388.99
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11BrF3NO3/c1-22-13-7-4-10(16)8-12(13)20-14(21)9-2-5-11(6-3-9)23-15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyRMDYEOSGTWYFFE-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoyl]benzoate
CID 99793528
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide
CID 71174212
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide (CID 55905383) is N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide is COc1ccc(Br)cc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is RMDYEOSGTWYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO3/c1-22-13-7-4-10(16)8-12(13)20-14(21)9-2-5-11(6-3-9)23-15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide?
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 390.16 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 55905383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).