[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium

C19H23Cl2N2O3+ — CID 2689916

IUPAC[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1OC
InChIInChI=1S/C19H22Cl2N2O3/c1-12(19(24)22-16-9-8-14(20)10-15(16)21)23(2)11-13-6-5-7-17(25-3)18(13)26-4/h5-10,12H,11H2,1-4H3,(H,22,24)/p+1/t12-/m1/s1
InChIKeyGVXCKJDFCRNSGY-GFCCVEGCSA-O
MW398.31 g/mol
LogP3.05
Rot. Bonds7

About [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium

[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 2689916) has the molecular formula C19H23Cl2N2O3+ and a molecular weight of 398.31 g/mol. Its IUPAC name is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
PubChem CID2689916
Molecular FormulaC19H23Cl2N2O3+
Molecular Weight398.31 g/mol
Exact Mass397.11
IUPAC Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1OC
InChIInChI=1S/C19H22Cl2N2O3/c1-12(19(24)22-16-9-8-14(20)10-15(16)21)23(2)11-13-6-5-7-17(25-3)18(13)26-4/h5-10,12H,11H2,1-4H3,(H,22,24)/p+1/t12-/m1/s1
InChIKeyGVXCKJDFCRNSGY-GFCCVEGCSA-O
XLogP3.05
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[(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
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433876
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 9261322
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8551611
(5-bromo-2-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 2438618
(2-methoxy-5-methylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8805562
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
CID 9136792
(5-chloro-2-methoxyphenyl)methyl-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9136940
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium (CID 2689916) is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1OC.
What is the InChIKey of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is GVXCKJDFCRNSGY-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-12(19(24)22-16-9-8-14(20)10-15(16)21)23(2)11-13-6-5-7-17(25-3)18(13)26-4/h5-10,12H,11H2,1-4H3,(H,22,24)/p+1/t12-/m1/s1.
What are the key properties of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 398.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 2689916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).