[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium

C19H23ClN3O3+ — CID 2658265

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H22ClN3O3/c1-13(19(25)21-15-7-5-4-6-8-15)23(2)12-18(24)22-16-11-14(20)9-10-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)/p+1/t13-/m0/s1
InChIKeyLEFPNTHWOYFTMF-ZDUSSCGKSA-O
MW376.86 g/mol
LogP1.83
Rot. Bonds7

About [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium

[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 2658265) has the molecular formula C19H23ClN3O3+ and a molecular weight of 376.86 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID2658265
Molecular FormulaC19H23ClN3O3+
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H22ClN3O3/c1-13(19(25)21-15-7-5-4-6-8-15)23(2)12-18(24)22-16-11-14(20)9-10-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)/p+1/t13-/m0/s1
InChIKeyLEFPNTHWOYFTMF-ZDUSSCGKSA-O
XLogP1.83
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514580
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248126
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 9261322
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2509122
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-methylazanium
CID 9222292
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium (CID 2658265) is [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is LEFPNTHWOYFTMF-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(19(25)21-15-7-5-4-6-8-15)23(2)12-18(24)22-16-11-14(20)9-10-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)/p+1/t13-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 376.86 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2658265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).