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

C18H21Cl2N2O+ — CID 9335122

IUPAC[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-12(14-3-7-16(19)8-4-14)21-11-18(23)22-13(2)15-5-9-17(20)10-6-15/h3-10,12-13,21H,11H2,1-2H3,(H,22,23)/p+1/t12-,13+/m0/s1
InChIKeyVBRFIPLNHYLXNM-QWHCGFSZSA-O
MW352.29 g/mol
LogP3.50
Rot. Bonds6

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

[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium (PubChem CID 9335122) has the molecular formula C18H21Cl2N2O+ and a molecular weight of 352.29 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
PubChem CID9335122
Molecular FormulaC18H21Cl2N2O+
Molecular Weight352.29 g/mol
Exact Mass351.10
IUPAC Name[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-12(14-3-7-16(19)8-4-14)21-11-18(23)22-13(2)15-5-9-17(20)10-6-15/h3-10,12-13,21H,11H2,1-2H3,(H,22,23)/p+1/t12-,13+/m0/s1
InChIKeyVBRFIPLNHYLXNM-QWHCGFSZSA-O
XLogP3.50
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335230
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
[(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
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
CID 9336451
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
CID 9335625

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium (CID 9335122) is [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium?
The InChIKey is VBRFIPLNHYLXNM-QWHCGFSZSA-O. The full InChI is InChI=1S/C18H20Cl2N2O/c1-12(14-3-7-16(19)8-4-14)21-11-18(23)22-13(2)15-5-9-17(20)10-6-15/h3-10,12-13,21H,11H2,1-2H3,(H,22,23)/p+1/t12-,13+/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium?
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium has a molecular weight of 352.29 g/mol, XLogP of 3.50, 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-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9335122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).