3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide

C14H21BrN2O2 — CID 104852655

IUPAC3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
SMILESCOCCN(C)CCNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-11-8-12(10-13(15)9-11)14(18)16-4-5-17(2)6-7-19-3/h8-10H,4-7H2,1-3H3,(H,16,18)
InChIKeyCFDDQMZLMJWKIR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.07
Rot. Bonds7

About 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide

3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide (PubChem CID 104852655) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
PubChem CID104852655
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
SMILESCOCCN(C)CCNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-11-8-12(10-13(15)9-11)14(18)16-4-5-17(2)6-7-19-3/h8-10H,4-7H2,1-3H3,(H,16,18)
InChIKeyCFDDQMZLMJWKIR-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730
3-bromo-N-[3-(2-methoxyethoxy)propyl]-5-methylbenzamide
CID 104852499
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide (CID 104852655) is 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide is COCCN(C)CCNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide?
The InChIKey is CFDDQMZLMJWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11-8-12(10-13(15)9-11)14(18)16-4-5-17(2)6-7-19-3/h8-10H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide?
3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide is sourced from PubChem (CID 104852655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).