3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide

C13H19BrN2O — CID 104852714

IUPAC3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)CCN(C)C)c1
InChIInChI=1S/C13H19BrN2O/c1-10-7-11(9-12(14)8-10)13(17)16(4)6-5-15(2)3/h7-9H,5-6H2,1-4H3
InChIKeyHCYZZZHEOIKODL-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.39
Rot. Bonds4

About 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide

3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide (PubChem CID 104852714) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
PubChem CID104852714
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)CCN(C)C)c1
InChIInChI=1S/C13H19BrN2O/c1-10-7-11(9-12(14)8-10)13(17)16(4)6-5-15(2)3/h7-9H,5-6H2,1-4H3
InChIKeyHCYZZZHEOIKODL-UHFFFAOYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide (CID 104852714) is 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide is Cc1cc(Br)cc(C(=O)N(C)CCN(C)C)c1.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide?
The InChIKey is HCYZZZHEOIKODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-7-11(9-12(14)8-10)13(17)16(4)6-5-15(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide?
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide has a molecular weight of 299.21 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide is sourced from PubChem (CID 104852714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).