2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

C11H15Cl3N2O — CID 119509137

IUPAC2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(12)7-10(9)13;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyTVRKZBACSNSTDX-UHFFFAOYSA-N
MW297.61 g/mol
LogP2.75
Rot. Bonds5

About 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (PubChem CID 119509137) has the molecular formula C11H15Cl3N2O and a molecular weight of 297.61 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
PubChem CID119509137
Molecular FormulaC11H15Cl3N2O
Molecular Weight297.61 g/mol
Exact Mass296.02
IUPAC Name2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(12)7-10(9)13;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyTVRKZBACSNSTDX-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,4-dichloro-N-[2-[(2-cyanoacetyl)amino]ethyl]benzamide
CID 108570422
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (CID 119509137) is 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is CCNCCNC(=O)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is TVRKZBACSNSTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(12)7-10(9)13;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H.
What are the key properties of 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 297.61 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119509137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).