3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride

C13H19BrClN3O2 — CID 119505849

IUPAC3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)CNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-2-15-6-7-16-12(18)9-17-13(19)10-4-3-5-11(14)8-10;/h3-5,8,15H,2,6-7,9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeySYNMAOXEZREOIW-UHFFFAOYSA-N
MW364.67 g/mol
LogP1.33
Rot. Bonds7

About 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride

3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119505849) has the molecular formula C13H19BrClN3O2 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID119505849
Molecular FormulaC13H19BrClN3O2
Molecular Weight364.67 g/mol
Exact Mass363.03
IUPAC Name3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)CNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-2-15-6-7-16-12(18)9-17-13(19)10-4-3-5-11(14)8-10;/h3-5,8,15H,2,6-7,9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeySYNMAOXEZREOIW-UHFFFAOYSA-N
XLogP1.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride (CID 119505849) is 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride is CCNCCNC(=O)CNC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is SYNMAOXEZREOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.ClH/c1-2-15-6-7-16-12(18)9-17-13(19)10-4-3-5-11(14)8-10;/h3-5,8,15H,2,6-7,9H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride?
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).