[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

C19H24ClN2O+ — CID 9287664

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)[C@@H](C)c2ccccc2Cl)c1C
InChIInChI=1S/C19H23ClN2O/c1-13-8-7-11-18(14(13)2)21-19(23)12-22(4)15(3)16-9-5-6-10-17(16)20/h5-11,15H,12H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyCBZFGISLUFARME-HNNXBMFYSA-O
MW331.87 g/mol
LogP3.17
Rot. Bonds5

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9287664) has the molecular formula C19H24ClN2O+ and a molecular weight of 331.87 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9287664
Molecular FormulaC19H24ClN2O+
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)[C@@H](C)c2ccccc2Cl)c1C
InChIInChI=1S/C19H23ClN2O/c1-13-8-7-11-18(14(13)2)21-19(23)12-22(4)15(3)16-9-5-6-10-17(16)20/h5-11,15H,12H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyCBZFGISLUFARME-HNNXBMFYSA-O
XLogP3.17
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253058
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8552613
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435355
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
CID 8553459
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 9287578
[(1S)-1-(2-chlorophenyl)-2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8658749
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9287248

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9287664) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cccc(NC(=O)C[NH+](C)[C@@H](C)c2ccccc2Cl)c1C.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is CBZFGISLUFARME-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H23ClN2O/c1-13-8-7-11-18(14(13)2)21-19(23)12-22(4)15(3)16-9-5-6-10-17(16)20/h5-11,15H,12H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 331.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9287664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).