3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

C13H20BrN3O2 — CID 55126476

IUPAC3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H20BrN3O2/c1-17(7-8-19-2)6-5-16-13(18)10-3-4-11(14)12(15)9-10/h3-4,9H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyKPSLPIRLNKFXLA-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.34
Rot. Bonds7

About 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (PubChem CID 55126476) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
PubChem CID55126476
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H20BrN3O2/c1-17(7-8-19-2)6-5-16-13(18)10-3-4-11(14)12(15)9-10/h3-4,9H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyKPSLPIRLNKFXLA-UHFFFAOYSA-N
XLogP1.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62845335
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
methyl 4-[(3-amino-4-bromobenzoyl)amino]butanoate
CID 114003913
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (CID 55126476) is 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is COCCN(C)CCNC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The InChIKey is KPSLPIRLNKFXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-17(7-8-19-2)6-5-16-13(18)10-3-4-11(14)12(15)9-10/h3-4,9H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide has a molecular weight of 330.23 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 55126476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).