3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C16H13BrF3NO3 — CID 17478378

IUPAC3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(Br)c1O
InChIInChI=1S/C16H13BrF3NO3/c1-24-13-7-10(6-12(17)14(13)22)15(23)21-8-9-2-4-11(5-3-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,23)
InChIKeyMRHPYHKQGLRXLF-UHFFFAOYSA-N
MW404.18 g/mol
LogP4.11
Rot. Bonds4

About 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 17478378) has the molecular formula C16H13BrF3NO3 and a molecular weight of 404.18 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID17478378
Molecular FormulaC16H13BrF3NO3
Molecular Weight404.18 g/mol
Exact Mass403.00
IUPAC Name3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(Br)c1O
InChIInChI=1S/C16H13BrF3NO3/c1-24-13-7-10(6-12(17)14(13)22)15(23)21-8-9-2-4-11(5-3-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,23)
InChIKeyMRHPYHKQGLRXLF-UHFFFAOYSA-N
XLogP4.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.18
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-4-hydroxy-5-methoxybenzamide
CID 17472841
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 146422502
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 17478378) is 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(Br)c1O.
What is the InChIKey of 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is MRHPYHKQGLRXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO3/c1-24-13-7-10(6-12(17)14(13)22)15(23)21-8-9-2-4-11(5-3-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,23).
What are the key properties of 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 404.18 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17478378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).