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

C18H20FN2O3+ — CID 9035205

IUPAC(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-21(11-13-7-3-5-9-15(13)19)12-17(22)20-16-10-6-4-8-14(16)18(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)/p+1
InChIKeyWBTOJVWUONEYCW-UHFFFAOYSA-O
MW331.37 g/mol
LogP1.27
Rot. Bonds6

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

(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9035205) has the molecular formula C18H20FN2O3+ and a molecular weight of 331.37 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID9035205
Molecular FormulaC18H20FN2O3+
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-21(11-13-7-3-5-9-15(13)19)12-17(22)20-16-10-6-4-8-14(16)18(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)/p+1
InChIKeyWBTOJVWUONEYCW-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-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
(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-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9196973
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9465682

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 9035205) is (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is COC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is WBTOJVWUONEYCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19FN2O3/c1-21(11-13-7-3-5-9-15(13)19)12-17(22)20-16-10-6-4-8-14(16)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-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(2-fluorophenyl)methyl-[2-(2-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-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9035205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).