3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride

C11H15Cl3N2O — CID 119429508

IUPAC3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-14-5-2-6-15-11(16)8-3-4-9(12)10(13)7-8;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyGNANDKGMDOSZRE-UHFFFAOYSA-N
MW297.61 g/mol
LogP2.75
Rot. Bonds5

About 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride

3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 119429508) has the molecular formula C11H15Cl3N2O and a molecular weight of 297.61 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID119429508
Molecular FormulaC11H15Cl3N2O
Molecular Weight297.61 g/mol
Exact Mass296.02
IUPAC Name3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-14-5-2-6-15-11(16)8-3-4-9(12)10(13)7-8;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyGNANDKGMDOSZRE-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'}

Analyze 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide
CID 154613272
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride (CID 119429508) is 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride is CNCCCNC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is GNANDKGMDOSZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O.ClH/c1-14-5-2-6-15-11(16)8-3-4-9(12)10(13)7-8;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H.
What are the key properties of 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride?
3,4-dichloro-N-[3-(methylamino)propyl]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 3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119429508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).