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

C19H22FN2O3+ — CID 9035217

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-3-25-19(24)15-9-5-7-11-17(15)21-18(23)13-22(2)12-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)/p+1
InChIKeyPARRBDLIQMYSFT-UHFFFAOYSA-O
MW345.39 g/mol
LogP1.66
Rot. Bonds7

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

[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 9035217) has the molecular formula C19H22FN2O3+ and a molecular weight of 345.39 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID9035217
Molecular FormulaC19H22FN2O3+
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-3-25-19(24)15-9-5-7-11-17(15)21-18(23)13-22(2)12-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)/p+1
InChIKeyPARRBDLIQMYSFT-UHFFFAOYSA-O
XLogP1.66
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.66
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
(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9136538
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162313
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9465682
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (CID 9035217) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is CCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1F.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is PARRBDLIQMYSFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN2O3/c1-3-25-19(24)15-9-5-7-11-17(15)21-18(23)13-22(2)12-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)/p+1.
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 345.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 9035217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).