(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

C18H19ClFN2O3+ — CID 9197321

IUPAC(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O3/c1-22(10-13-14(19)7-5-8-15(13)20)11-17(23)21-16-9-4-3-6-12(16)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1
InChIKeyOXGFWFLNPBOMPJ-UHFFFAOYSA-O
MW365.81 g/mol
LogP1.92
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9197321) has the molecular formula C18H19ClFN2O3+ and a molecular weight of 365.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID9197321
Molecular FormulaC18H19ClFN2O3+
Molecular Weight365.81 g/mol
Exact Mass365.11
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O3/c1-22(10-13-14(19)7-5-8-15(13)20)11-17(23)21-16-9-4-3-6-12(16)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1
InChIKeyOXGFWFLNPBOMPJ-UHFFFAOYSA-O
XLogP1.92
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9196973
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-methylazanium
CID 2509388
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197253
(2-chloro-6-fluorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9197236
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 9197321) is (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is COC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is OXGFWFLNPBOMPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18ClFN2O3/c1-22(10-13-14(19)7-5-8-15(13)20)11-17(23)21-16-9-4-3-6-12(16)18(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 365.81 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9197321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).