(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

C18H20FN2O3+ — CID 9035142

IUPAC(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-21(11-14-5-3-4-6-16(14)19)12-17(22)20-15-9-7-13(8-10-15)18(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)/p+1
InChIKeyUYAIERLIDHJZEB-UHFFFAOYSA-O
MW331.37 g/mol
LogP1.27
Rot. Bonds6

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

(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9035142) has the molecular formula C18H20FN2O3+ and a molecular weight of 331.37 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID9035142
Molecular FormulaC18H20FN2O3+
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-21(11-14-5-3-4-6-16(14)19)12-17(22)20-15-9-7-13(8-10-15)18(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)/p+1
InChIKeyUYAIERLIDHJZEB-UHFFFAOYSA-O
XLogP1.27
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
[2-(3-fluoroanilino)-2-oxoethyl]-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9250680
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9034400
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339260
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964210

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 9035142) is (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is COC(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is UYAIERLIDHJZEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19FN2O3/c1-21(11-14-5-3-4-6-16(14)19)12-17(22)20-15-9-7-13(8-10-15)18(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)/p+1.
What are the key properties of (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 331.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9035142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).