[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium

C19H24ClN2O3+ — CID 8514580

IUPAC[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)CCOc1ccccc1
InChIInChI=1S/C19H23ClN2O3/c1-14(22(2)11-12-25-16-7-5-4-6-8-16)19(23)21-17-13-15(20)9-10-18(17)24-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1
InChIKeyCNXKZSDFEVXSOE-CQSZACIVSA-O
MW363.87 g/mol
LogP2.27
Rot. Bonds8

About [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8514580) has the molecular formula C19H24ClN2O3+ and a molecular weight of 363.87 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8514580
Molecular FormulaC19H24ClN2O3+
Molecular Weight363.87 g/mol
Exact Mass363.15
IUPAC Name[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)CCOc1ccccc1
InChIInChI=1S/C19H23ClN2O3/c1-14(22(2)11-12-25-16-7-5-4-6-8-16)19(23)21-17-13-15(20)9-10-18(17)24-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1
InChIKeyCNXKZSDFEVXSOE-CQSZACIVSA-O
XLogP2.27
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium with MolForge

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Related Compounds

[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514514
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514524
[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658265
[(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
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514643
1,3-benzothiazol-2-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 8802296
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436885
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147098

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium (CID 8514580) is [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium is COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)CCOc1ccccc1.
What is the InChIKey of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is CNXKZSDFEVXSOE-CQSZACIVSA-O. The full InChI is InChI=1S/C19H23ClN2O3/c1-14(22(2)11-12-25-16-7-5-4-6-8-16)19(23)21-17-13-15(20)9-10-18(17)24-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium?
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 363.87 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8514580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).