N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride

C13H19BrClN3O2 — CID 119408124

IUPACN-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O2.ClH/c14-11-4-2-10(3-5-11)13(19)17-9-6-12(18)16-8-1-7-15;/h2-5H,1,6-9,15H2,(H,16,18)(H,17,19);1H
InChIKeyRSZOYUBKCXCCEQ-UHFFFAOYSA-N
MW364.67 g/mol
LogP1.46
Rot. Bonds7

About N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride

N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride (PubChem CID 119408124) has the molecular formula C13H19BrClN3O2 and a molecular weight of 364.67 g/mol. Its IUPAC name is N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
PubChem CID119408124
Molecular FormulaC13H19BrClN3O2
Molecular Weight364.67 g/mol
Exact Mass363.03
IUPAC NameN-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O2.ClH/c14-11-4-2-10(3-5-11)13(19)17-9-6-12(18)16-8-1-7-15;/h2-5H,1,6-9,15H2,(H,16,18)(H,17,19);1H
InChIKeyRSZOYUBKCXCCEQ-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 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 ≤ 51.46
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

N-[2-(7-aminoheptanoylamino)ethyl]-4-bromobenzamide
CID 119741967
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
N-[3-(4-aminobutanoylamino)propyl]-3-bromobenzamide
CID 119312115
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The IUPAC name of N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride (CID 119408124) is N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The canonical SMILES for N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride is Cl.NCCCNC(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The InChIKey is RSZOYUBKCXCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.ClH/c14-11-4-2-10(3-5-11)13(19)17-9-6-12(18)16-8-1-7-15;/h2-5H,1,6-9,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride is sourced from PubChem (CID 119408124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).