N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride

C12H16Cl2N2O2 — CID 119384394

IUPACN-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCCNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2.ClH/c13-10-3-1-9(2-4-10)11(16)5-6-12(17)15-8-7-14;/h1-4H,5-8,14H2,(H,15,17);1H
InChIKeyFMMMJARBYYIIJB-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.80
Rot. Bonds6

About N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride

N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119384394) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119384394
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCCNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2.ClH/c13-10-3-1-9(2-4-10)11(16)5-6-12(17)15-8-7-14;/h1-4H,5-8,14H2,(H,15,17);1H
InChIKeyFMMMJARBYYIIJB-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
N-(2-aminoethyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119384014
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
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 9333216
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (CID 119384394) is N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is Cl.NCCNC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is FMMMJARBYYIIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c13-10-3-1-9(2-4-10)11(16)5-6-12(17)15-8-7-14;/h1-4H,5-8,14H2,(H,15,17);1H.
What are the key properties of N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119384394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).