5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C17H17BrFNO4 — CID 9483412

IUPAC5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Br)ccc2F)cc(OC)c1OC
InChIInChI=1S/C17H17BrFNO4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(21)12-8-11(18)4-5-13(12)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyWEGVHBFMRLVQNM-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.54
Rot. Bonds6

About 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 9483412) has the molecular formula C17H17BrFNO4 and a molecular weight of 398.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID9483412
Molecular FormulaC17H17BrFNO4
Molecular Weight398.23 g/mol
Exact Mass397.03
IUPAC Name5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Br)ccc2F)cc(OC)c1OC
InChIInChI=1S/C17H17BrFNO4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(21)12-8-11(18)4-5-13(12)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyWEGVHBFMRLVQNM-UHFFFAOYSA-N
XLogP3.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60589869
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
2-chloro-5-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2995885
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 9483412) is 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Br)ccc2F)cc(OC)c1OC.
What is the InChIKey of 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is WEGVHBFMRLVQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(21)12-8-11(18)4-5-13(12)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 398.23 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 9483412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).