3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C17H17BrFNO2 — CID 55718913

IUPAC3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(15-6-4-5-7-16(15)22-3)20(2)17(21)12-8-13(18)10-14(19)9-12/h4-11H,1-3H3
InChIKeyZGLZEOGEYKGDID-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.43
Rot. Bonds4

About 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 55718913) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID55718913
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(15-6-4-5-7-16(15)22-3)20(2)17(21)12-8-13(18)10-14(19)9-12/h4-11H,1-3H3
InChIKeyZGLZEOGEYKGDID-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
2-[(3-bromo-5-fluorobenzoyl)-methylamino]propanoic acid
CID 55096580
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 134054596
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 55718913) is 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is ZGLZEOGEYKGDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(15-6-4-5-7-16(15)22-3)20(2)17(21)12-8-13(18)10-14(19)9-12/h4-11H,1-3H3.
What are the key properties of 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 366.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55718913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).