2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide

C17H17BrFNO — CID 55592952

IUPAC2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide
SMILESCCN(C(=O)c1cc(F)ccc1Br)c1ccc(C)cc1C
InChIInChI=1S/C17H17BrFNO/c1-4-20(16-8-5-11(2)9-12(16)3)17(21)14-10-13(19)6-7-15(14)18/h5-10H,4H2,1-3H3
InChIKeyUQPYDEZKOHVBDI-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.87
Rot. Bonds3

About 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide

2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide (PubChem CID 55592952) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide
PubChem CID55592952
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide
SMILESCCN(C(=O)c1cc(F)ccc1Br)c1ccc(C)cc1C
InChIInChI=1S/C17H17BrFNO/c1-4-20(16-8-5-11(2)9-12(16)3)17(21)14-10-13(19)6-7-15(14)18/h5-10H,4H2,1-3H3
InChIKeyUQPYDEZKOHVBDI-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 86927158
N-(2,4-dimethylphenyl)-N-ethyl-2-methylpropanamide
CID 78853766
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide
CID 52574596
5-fluoro-2-(N,2,4-trimethylanilino)benzoic acid
CID 63536667
2-[(2-bromo-5-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62825454
N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 86927149
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide (CID 55592952) is 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide is CCN(C(=O)c1cc(F)ccc1Br)c1ccc(C)cc1C.
What is the InChIKey of 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide?
The InChIKey is UQPYDEZKOHVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-4-20(16-8-5-11(2)9-12(16)3)17(21)14-10-13(19)6-7-15(14)18/h5-10H,4H2,1-3H3.
What are the key properties of 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide?
2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide is sourced from PubChem (CID 55592952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).