4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide

C12H17BrN2O3 — CID 119499922

IUPAC4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C12H17BrN2O3/c1-14-4-5-15-12(16)8-6-9(17-2)11(13)10(7-8)18-3/h6-7,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyDGTUAVJDAPCJKK-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.42
Rot. Bonds6

About 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide

4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide (PubChem CID 119499922) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
PubChem CID119499922
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C12H17BrN2O3/c1-14-4-5-15-12(16)8-6-9(17-2)11(13)10(7-8)18-3/h6-7,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyDGTUAVJDAPCJKK-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
CID 115636723
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide (CID 119499922) is 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is DGTUAVJDAPCJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-14-4-5-15-12(16)8-6-9(17-2)11(13)10(7-8)18-3/h6-7,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide?
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 317.18 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 119499922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).