2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide

C17H17BrFNO — CID 107982449

IUPAC2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)c2ccc(F)cc2)c1Br
InChIInChI=1S/C17H17BrFNO/c1-11-5-4-6-15(16(11)18)17(21)20(3)12(2)13-7-9-14(19)10-8-13/h4-10,12H,1-3H3
InChIKeyFUGIHNXIJHIYRU-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.73
Rot. Bonds3

About 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide

2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide (PubChem CID 107982449) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
PubChem CID107982449
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)c2ccc(F)cc2)c1Br
InChIInChI=1S/C17H17BrFNO/c1-11-5-4-6-15(16(11)18)17(21)20(3)12(2)13-7-9-14(19)10-8-13/h4-10,12H,1-3H3
InChIKeyFUGIHNXIJHIYRU-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide
CID 43034666
3-(2-bromo-3-methylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 107982674
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
CID 62979803

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide (CID 107982449) is 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)c2ccc(F)cc2)c1Br.
What is the InChIKey of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide?
The InChIKey is FUGIHNXIJHIYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11-5-4-6-15(16(11)18)17(21)20(3)12(2)13-7-9-14(19)10-8-13/h4-10,12H,1-3H3.
What are the key properties of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide?
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 107982449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).