[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium

C16H16Cl3N2O+ — CID 9335625

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl3N2O/c1-10(11-2-4-12(17)5-3-11)20-9-16(22)21-15-8-13(18)6-7-14(15)19/h2-8,10,20H,9H2,1H3,(H,21,22)/p+1/t10-/m1/s1
InChIKeySIQOFQPGYHPAEW-SNVBAGLBSA-O
MW358.68 g/mol
LogP3.91
Rot. Bonds5

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium (PubChem CID 9335625) has the molecular formula C16H16Cl3N2O+ and a molecular weight of 358.68 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
PubChem CID9335625
Molecular FormulaC16H16Cl3N2O+
Molecular Weight358.68 g/mol
Exact Mass357.03
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl3N2O/c1-10(11-2-4-12(17)5-3-11)20-9-16(22)21-15-8-13(18)6-7-14(15)19/h2-8,10,20H,9H2,1H3,(H,21,22)/p+1/t10-/m1/s1
InChIKeySIQOFQPGYHPAEW-SNVBAGLBSA-O
XLogP3.91
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.68
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335785
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131604
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 9397823
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[(1R)-1-(4-propan-2-ylphenyl)ethyl]azanium
CID 9262403
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9335122

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium (CID 9335625) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium?
The InChIKey is SIQOFQPGYHPAEW-SNVBAGLBSA-O. The full InChI is InChI=1S/C16H15Cl3N2O/c1-10(11-2-4-12(17)5-3-11)20-9-16(22)21-15-8-13(18)6-7-14(15)19/h2-8,10,20H,9H2,1H3,(H,21,22)/p+1/t10-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium has a molecular weight of 358.68 g/mol, XLogP of 3.91, 5 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-(2,5-dichloroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9335625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).