4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride

C13H19BrClN3O2 — CID 119503431

IUPAC4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
SMILESCNCCNC(=O)CCNC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-15-8-9-16-12(18)6-7-17-13(19)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyJDBGJAOMUWELBN-UHFFFAOYSA-N
MW364.67 g/mol
LogP1.33
Rot. Bonds7

About 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride

4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride (PubChem CID 119503431) has the molecular formula C13H19BrClN3O2 and a molecular weight of 364.67 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
PubChem CID119503431
Molecular FormulaC13H19BrClN3O2
Molecular Weight364.67 g/mol
Exact Mass363.03
IUPAC Name4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
SMILESCNCCNC(=O)CCNC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-15-8-9-16-12(18)6-7-17-13(19)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyJDBGJAOMUWELBN-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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CID 119408124
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CID 119502206
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
N-[2-(7-aminoheptanoylamino)ethyl]-4-bromobenzamide
CID 119741967
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride (CID 119503431) is 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride is CNCCNC(=O)CCNC(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride?
The InChIKey is JDBGJAOMUWELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.ClH/c1-15-8-9-16-12(18)6-7-17-13(19)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride?
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]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 4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride is sourced from PubChem (CID 119503431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).