3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide

C16H15BrFNO — CID 104851939

IUPAC3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-7-13(10-14(17)8-11)16(20)19-6-5-12-3-2-4-15(18)9-12/h2-4,7-10H,5-6H2,1H3,(H,19,20)
InChIKeyNDEBEPPHXVBBST-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.87
Rot. Bonds4

About 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide

3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide (PubChem CID 104851939) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
PubChem CID104851939
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-7-13(10-14(17)8-11)16(20)19-6-5-12-3-2-4-15(18)9-12/h2-4,7-10H,5-6H2,1H3,(H,19,20)
InChIKeyNDEBEPPHXVBBST-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87467122
N-[2-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111394718
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide (CID 104851939) is 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide?
The InChIKey is NDEBEPPHXVBBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-7-13(10-14(17)8-11)16(20)19-6-5-12-3-2-4-15(18)9-12/h2-4,7-10H,5-6H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide?
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 104851939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).