3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide

C17H27BrN2O — CID 102993518

IUPAC3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cccc(Br)c1C
InChIInChI=1S/C17H27BrN2O/c1-5-19(6-2)12-9-13-20(7-3)17(21)15-10-8-11-16(18)14(15)4/h8,10-11H,5-7,9,12-13H2,1-4H3
InChIKeyAJMCXGLWSNKKAL-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.95
Rot. Bonds8

About 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide

3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide (PubChem CID 102993518) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
PubChem CID102993518
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cccc(Br)c1C
InChIInChI=1S/C17H27BrN2O/c1-5-19(6-2)12-9-13-20(7-3)17(21)15-10-8-11-16(18)14(15)4/h8,10-11H,5-7,9,12-13H2,1-4H3
InChIKeyAJMCXGLWSNKKAL-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990935
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
2-bromo-N,N-dibutylbenzamide
CID 2843235
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide (CID 102993518) is 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide is CCN(CC)CCCN(CC)C(=O)c1cccc(Br)c1C.
What is the InChIKey of 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide?
The InChIKey is AJMCXGLWSNKKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-19(6-2)12-9-13-20(7-3)17(21)15-10-8-11-16(18)14(15)4/h8,10-11H,5-7,9,12-13H2,1-4H3.
What are the key properties of 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide?
3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide has a molecular weight of 355.32 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 102993518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).