N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride

C13H18Cl2N2O2 — CID 119407638

IUPACN-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2.ClH/c14-11-4-2-10(3-5-11)12(17)6-7-13(18)16-9-1-8-15;/h2-5H,1,6-9,15H2,(H,16,18);1H
InChIKeyVIOKIQXGHXDUMU-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.19
Rot. Bonds7

About N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride

N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119407638) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119407638
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2.ClH/c14-11-4-2-10(3-5-11)12(17)6-7-13(18)16-9-1-8-15;/h2-5H,1,6-9,15H2,(H,16,18);1H
InChIKeyVIOKIQXGHXDUMU-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
CID 26635879
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
CID 27039880
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (CID 119407638) is N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is Cl.NCCCNC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is VIOKIQXGHXDUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c14-11-4-2-10(3-5-11)12(17)6-7-13(18)16-9-1-8-15;/h2-5H,1,6-9,15H2,(H,16,18);1H.
What are the key properties of N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119407638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).