N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride

C11H15Cl3N2O — CID 119407523

IUPACN-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
SMILESCl.NCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O.ClH/c12-9-3-2-8(6-10(9)13)7-11(16)15-5-1-4-14;/h2-3,6H,1,4-5,7,14H2,(H,15,16);1H
InChIKeyFHLCKNARIGBLRO-UHFFFAOYSA-N
MW297.61 g/mol
LogP2.42
Rot. Bonds5

About N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride

N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride (PubChem CID 119407523) has the molecular formula C11H15Cl3N2O and a molecular weight of 297.61 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
PubChem CID119407523
Molecular FormulaC11H15Cl3N2O
Molecular Weight297.61 g/mol
Exact Mass296.02
IUPAC NameN-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
SMILESCl.NCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O.ClH/c12-9-3-2-8(6-10(9)13)7-11(16)15-5-1-4-14;/h2-3,6H,1,4-5,7,14H2,(H,15,16);1H
InChIKeyFHLCKNARIGBLRO-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 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 ≤ 52.42
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

N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride (CID 119407523) is N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride is Cl.NCCCNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride?
The InChIKey is FHLCKNARIGBLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O.ClH/c12-9-3-2-8(6-10(9)13)7-11(16)15-5-1-4-14;/h2-3,6H,1,4-5,7,14H2,(H,15,16);1H.
What are the key properties of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride has a molecular weight of 297.61 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119407523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).