(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

C19H22FN2O4+ — CID 9431684

IUPAC(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C19H21FN2O4/c1-22(11-13-8-9-17(25-2)15(20)10-13)12-18(23)21-16-7-5-4-6-14(16)19(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1
InChIKeyFGEQIOBQXCOWBT-UHFFFAOYSA-O
MW361.39 g/mol
LogP1.27
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9431684) has the molecular formula C19H22FN2O4+ and a molecular weight of 361.39 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID9431684
Molecular FormulaC19H22FN2O4+
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C19H21FN2O4/c1-22(11-13-8-9-17(25-2)15(20)10-13)12-18(23)21-16-7-5-4-6-14(16)19(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1
InChIKeyFGEQIOBQXCOWBT-UHFFFAOYSA-O
XLogP1.27
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432073
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9264991
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432476
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9291603
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432710
[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 2514338

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 9431684) is (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is COC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is FGEQIOBQXCOWBT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN2O4/c1-22(11-13-8-9-17(25-2)15(20)10-13)12-18(23)21-16-7-5-4-6-14(16)19(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 361.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).