3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

C15H13BrFNO2 — CID 110410177

IUPAC3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-20-14-5-3-2-4-10(14)9-18-15(19)11-6-12(16)8-13(17)7-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRRKMKHQSGOBIOY-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.53
Rot. Bonds4

About 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 110410177) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID110410177
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-20-14-5-3-2-4-10(14)9-18-15(19)11-6-12(16)8-13(17)7-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRRKMKHQSGOBIOY-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-5-[(2-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
CID 99738190
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CID 31069159
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
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3-bromo-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-fluorobenzamide
CID 55715109
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide (CID 110410177) is 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is RRKMKHQSGOBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-14-5-3-2-4-10(14)9-18-15(19)11-6-12(16)8-13(17)7-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110410177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).