3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide

C17H17BrFNO2 — CID 55861656

IUPAC3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-3-22-16-7-5-4-6-12(16)11-20(2)17(21)13-8-14(18)10-15(19)9-13/h4-10H,3,11H2,1-2H3
InChIKeyVHMFWIGTZIYOJO-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.26
Rot. Bonds5

About 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide

3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide (PubChem CID 55861656) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
PubChem CID55861656
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-3-22-16-7-5-4-6-12(16)11-20(2)17(21)13-8-14(18)10-15(19)9-13/h4-10H,3,11H2,1-2H3
InChIKeyVHMFWIGTZIYOJO-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55957273
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide (CID 55861656) is 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide is CCOc1ccccc1CN(C)C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The InChIKey is VHMFWIGTZIYOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-3-22-16-7-5-4-6-12(16)11-20(2)17(21)13-8-14(18)10-15(19)9-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide has a molecular weight of 366.23 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 55861656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).