5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide

C12H18BrN3O — CID 62635721

IUPAC5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C12H18BrN3O/c1-3-16(2)7-6-15-12(17)10-8-9(14)4-5-11(10)13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyZGERHKIMCYCRIA-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide

5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide (PubChem CID 62635721) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide
PubChem CID62635721
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C12H18BrN3O/c1-3-16(2)7-6-15-12(17)10-8-9(14)4-5-11(10)13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyZGERHKIMCYCRIA-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.71
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

5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
6-[(5-amino-2-bromobenzoyl)amino]-4-ethylhexanoic acid
CID 115297367
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide (CID 62635721) is 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide is CCN(C)CCNC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The InChIKey is ZGERHKIMCYCRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-16(2)7-6-15-12(17)10-8-9(14)4-5-11(10)13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide has a molecular weight of 300.20 g/mol, XLogP of 1.71, 5 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-[2-[ethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 62635721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).