N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride

C12H16Cl3N3O2 — CID 119405889

IUPACN-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2.ClH/c13-9-3-2-8(6-10(9)14)12(19)17-7-11(18)16-5-1-4-15;/h2-3,6H,1,4-5,7,15H2,(H,16,18)(H,17,19);1H
InChIKeyXPNGQZCMLXCTJG-UHFFFAOYSA-N
MW340.64 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride

N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (PubChem CID 119405889) has the molecular formula C12H16Cl3N3O2 and a molecular weight of 340.64 g/mol. Its IUPAC name is N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
PubChem CID119405889
Molecular FormulaC12H16Cl3N3O2
Molecular Weight340.64 g/mol
Exact Mass339.03
IUPAC NameN-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2.ClH/c13-9-3-2-8(6-10(9)14)12(19)17-7-11(18)16-5-1-4-15;/h2-3,6H,1,4-5,7,15H2,(H,16,18)(H,17,19);1H
InChIKeyXPNGQZCMLXCTJG-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 51.61
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

5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
CID 119234912
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (CID 119405889) is N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is Cl.NCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The InChIKey is XPNGQZCMLXCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2.ClH/c13-9-3-2-8(6-10(9)14)12(19)17-7-11(18)16-5-1-4-15;/h2-3,6H,1,4-5,7,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride has a molecular weight of 340.64 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119405889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).