[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium

C17H19Cl2N2O+ — CID 9331600

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-12(14-5-3-7-16(19)9-14)20-11-17(22)21-10-13-4-2-6-15(18)8-13/h2-9,12,20H,10-11H2,1H3,(H,21,22)/p+1/t12-/m1/s1
InChIKeyZMFKMHKPPMSZDO-GFCCVEGCSA-O
MW338.26 g/mol
LogP2.93
Rot. Bonds6

About [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium

[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9331600) has the molecular formula C17H19Cl2N2O+ and a molecular weight of 338.26 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9331600
Molecular FormulaC17H19Cl2N2O+
Molecular Weight338.26 g/mol
Exact Mass337.09
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-12(14-5-3-7-16(19)9-14)20-11-17(22)21-10-13-4-2-6-15(18)8-13/h2-9,12,20H,10-11H2,1H3,(H,21,22)/p+1/t12-/m1/s1
InChIKeyZMFKMHKPPMSZDO-GFCCVEGCSA-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

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Related Compounds

[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8599162
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599384
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599438

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium (CID 9331600) is [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is ZMFKMHKPPMSZDO-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12(14-5-3-7-16(19)9-14)20-11-17(22)21-10-13-4-2-6-15(18)8-13/h2-9,12,20H,10-11H2,1H3,(H,21,22)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-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 [(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9331600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).