[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium

C18H20Cl3N2O2+ — CID 2509122

IUPAC[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl3N2O2/c1-11(23(2)10-12-5-4-6-14(20)17(12)21)18(24)22-15-9-13(19)7-8-16(15)25-3/h4-9,11H,10H2,1-3H3,(H,22,24)/p+1/t11-/m0/s1
InChIKeyKTCYQCMUOAMDNU-NSHDSACASA-O
MW402.73 g/mol
LogP3.70
Rot. Bonds6

About [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium (PubChem CID 2509122) has the molecular formula C18H20Cl3N2O2+ and a molecular weight of 402.73 g/mol. Its IUPAC name is [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
PubChem CID2509122
Molecular FormulaC18H20Cl3N2O2+
Molecular Weight402.73 g/mol
Exact Mass401.06
IUPAC Name[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl3N2O2/c1-11(23(2)10-12-5-4-6-14(20)17(12)21)18(24)22-15-9-13(19)7-8-16(15)25-3/h4-9,11H,10H2,1-3H3,(H,22,24)/p+1/t11-/m0/s1
InChIKeyKTCYQCMUOAMDNU-NSHDSACASA-O
XLogP3.70
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.73
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2689916
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 9261322
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514580
1,3-benzothiazol-2-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 8802296
[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658265
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7466943
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436885
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
CID 9136792
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
(5-chloro-2-methoxyphenyl)methyl-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9136940

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The IUPAC name of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium (CID 2509122) is [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The canonical SMILES for [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium is COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The InChIKey is KTCYQCMUOAMDNU-NSHDSACASA-O. The full InChI is InChI=1S/C18H19Cl3N2O2/c1-11(23(2)10-12-5-4-6-14(20)17(12)21)18(24)22-15-9-13(19)7-8-16(15)25-3/h4-9,11H,10H2,1-3H3,(H,22,24)/p+1/t11-/m0/s1.
What are the key properties of [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium has a molecular weight of 402.73 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2509122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).