(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

C18H19Cl2N2O3+ — CID 9196973

IUPAC(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-22(10-12-7-8-13(19)9-15(12)20)11-17(23)21-16-6-4-3-5-14(16)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1
InChIKeyOOZZHZVZABIECB-UHFFFAOYSA-O
MW382.27 g/mol
LogP2.43
Rot. Bonds6

About (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9196973) has the molecular formula C18H19Cl2N2O3+ and a molecular weight of 382.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID9196973
Molecular FormulaC18H19Cl2N2O3+
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC Name(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-22(10-12-7-8-13(19)9-15(12)20)11-17(23)21-16-6-4-3-5-14(16)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1
InChIKeyOOZZHZVZABIECB-UHFFFAOYSA-O
XLogP2.43
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9136538
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 9196973) is (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is COC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is OOZZHZVZABIECB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-22(10-12-7-8-13(19)9-15(12)20)11-17(23)21-16-6-4-3-5-14(16)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1.
What are the key properties of (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 382.27 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9196973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).