[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium

C16H17Cl2N2O+ — CID 9331163

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-11(12-3-2-4-14(18)9-12)19-10-16(21)20-15-7-5-13(17)6-8-15/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1
InChIKeyHCJYUMNDOBRNTB-LLVKDONJSA-O
MW324.23 g/mol
LogP3.26
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium (PubChem CID 9331163) has the molecular formula C16H17Cl2N2O+ and a molecular weight of 324.23 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
PubChem CID9331163
Molecular FormulaC16H17Cl2N2O+
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-11(12-3-2-4-14(18)9-12)19-10-16(21)20-15-7-5-13(17)6-8-15/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1
InChIKeyHCJYUMNDOBRNTB-LLVKDONJSA-O
XLogP3.26
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[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
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9330926
[(1S)-1-(3-chlorophenyl)ethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8593369
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9330762
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium
CID 8599294
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium (CID 9331163) is [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The InChIKey is HCJYUMNDOBRNTB-LLVKDONJSA-O. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11(12-3-2-4-14(18)9-12)19-10-16(21)20-15-7-5-13(17)6-8-15/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium has a molecular weight of 324.23 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 9331163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).