[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium

C17H19Cl2N2O2+ — CID 9307077

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(13-5-3-4-6-14(13)19)20-10-17(22)21-15-9-12(18)7-8-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/p+1/t11-/m0/s1
InChIKeyYQMXVAFQCRGMNU-NSHDSACASA-O
MW354.26 g/mol
LogP3.27
Rot. Bonds6

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium (PubChem CID 9307077) has the molecular formula C17H19Cl2N2O2+ and a molecular weight of 354.26 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
PubChem CID9307077
Molecular FormulaC17H19Cl2N2O2+
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(13-5-3-4-6-14(13)19)20-10-17(22)21-15-9-12(18)7-8-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/p+1/t11-/m0/s1
InChIKeyYQMXVAFQCRGMNU-NSHDSACASA-O
XLogP3.27
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370160
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 9307194
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370154
N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307080
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 9307131
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9307272
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
CID 8598301
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium
CID 9306640
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium (CID 9307077) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium is COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
The InChIKey is YQMXVAFQCRGMNU-NSHDSACASA-O. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(13-5-3-4-6-14(13)19)20-10-17(22)21-15-9-12(18)7-8-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/p+1/t11-/m0/s1.
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium has a molecular weight of 354.26 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 9307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).