N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride

C11H16Cl2N2O — CID 119408603

IUPACN-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
SMILESCl.NCCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-4-2-9(3-5-10)8-11(15)14-7-1-6-13;/h2-5H,1,6-8,13H2,(H,14,15);1H
InChIKeyUJBPZWOIPCCXPH-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.77
Rot. Bonds5

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

N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride (PubChem CID 119408603) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
PubChem CID119408603
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
SMILESCl.NCCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-4-2-9(3-5-10)8-11(15)14-7-1-6-13;/h2-5H,1,6-8,13H2,(H,14,15);1H
InChIKeyUJBPZWOIPCCXPH-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.77
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-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
2-[4-(1-aminoethyl)phenyl]-N-(3-aminopropyl)acetamide
CID 123947658
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride (CID 119408603) is N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride is Cl.NCCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride?
The InChIKey is UJBPZWOIPCCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c12-10-4-2-9(3-5-10)8-11(15)14-7-1-6-13;/h2-5H,1,6-8,13H2,(H,14,15);1H.
What are the key properties of N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.77, 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-(4-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119408603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).