[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium

C17H19Cl2N2O+ — CID 9335490

IUPAC[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12(14-4-8-16(19)9-5-14)20-11-17(22)21-10-13-2-6-15(18)7-3-13/h2-9,12,20H,10-11H2,1H3,(H,21,22)/p+1/t12-/m0/s1
InChIKeyINHUNAXQXDQXTD-LBPRGKRZSA-O
MW338.26 g/mol
LogP2.93
Rot. Bonds6

About [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium

[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9335490) has the molecular formula C17H19Cl2N2O+ and a molecular weight of 338.26 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9335490
Molecular FormulaC17H19Cl2N2O+
Molecular Weight338.26 g/mol
Exact Mass337.09
IUPAC Name[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12(14-4-8-16(19)9-5-14)20-11-17(22)21-10-13-2-6-15(18)7-3-13/h2-9,12,20H,10-11H2,1H3,(H,21,22)/p+1/t12-/m0/s1
InChIKeyINHUNAXQXDQXTD-LBPRGKRZSA-O
XLogP2.93
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium 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

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
CID 9336451
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9253909
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9335122
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335230
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209299
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636263

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium (CID 9335490) is [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is INHUNAXQXDQXTD-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12(14-4-8-16(19)9-5-14)20-11-17(22)21-10-13-2-6-15(18)7-3-13/h2-9,12,20H,10-11H2,1H3,(H,21,22)/p+1/t12-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium?
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 338.26 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9335490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).