[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium

C18H21Cl2N2O+ — CID 9336451

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-13(15-4-8-17(20)9-5-15)22-12-18(23)21-11-10-14-2-6-16(19)7-3-14/h2-9,13,22H,10-12H2,1H3,(H,21,23)/p+1/t13-/m1/s1
InChIKeyPGPQOYLAKLEVEJ-CYBMUJFWSA-O
MW352.29 g/mol
LogP2.98
Rot. Bonds7

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 9336451) has the molecular formula C18H21Cl2N2O+ and a molecular weight of 352.29 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID9336451
Molecular FormulaC18H21Cl2N2O+
Molecular Weight352.29 g/mol
Exact Mass351.10
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-13(15-4-8-17(20)9-5-15)22-12-18(23)21-11-10-14-2-6-16(19)7-3-14/h2-9,13,22H,10-12H2,1H3,(H,21,23)/p+1/t13-/m1/s1
InChIKeyPGPQOYLAKLEVEJ-CYBMUJFWSA-O
XLogP2.98
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
CID 8688786
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9335122
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209221
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
4-[2-(4-chlorophenyl)ethylamino]-2-methyl-4-oxobutanoic acid
CID 115165161
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium (CID 9336451) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is PGPQOYLAKLEVEJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H20Cl2N2O/c1-13(15-4-8-17(20)9-5-15)22-12-18(23)21-11-10-14-2-6-16(19)7-3-14/h2-9,13,22H,10-12H2,1H3,(H,21,23)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 352.29 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9336451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).