5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

C13H18BrN3O2 — CID 106913822

IUPAC5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H18BrN3O2/c1-8(12(18)16-2)7-17(3)13(19)10-6-9(15)4-5-11(10)14/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeySHVLRSHANSBAGR-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.49
Rot. Bonds4

About 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913822) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913822
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H18BrN3O2/c1-8(12(18)16-2)7-17(3)13(19)10-6-9(15)4-5-11(10)14/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeySHVLRSHANSBAGR-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 102739507
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103747220

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (CID 106913822) is 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)CN(C)C(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is SHVLRSHANSBAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-8(12(18)16-2)7-17(3)13(19)10-6-9(15)4-5-11(10)14/h4-6,8H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 328.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).