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

C17H20FN2O2+ — CID 7998678

IUPAC(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccccc1NC(=O)C[NH+](C)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-20(11-13-7-9-14(18)10-8-13)12-17(21)19-15-5-3-4-6-16(15)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)/p+1
InChIKeyDKAGNVSJULXQCG-UHFFFAOYSA-O
MW303.36 g/mol
LogP1.49
Rot. Bonds6

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

(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 7998678) has the molecular formula C17H20FN2O2+ and a molecular weight of 303.36 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID7998678
Molecular FormulaC17H20FN2O2+
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccccc1NC(=O)C[NH+](C)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-20(11-13-7-9-14(18)10-8-13)12-17(21)19-15-5-3-4-6-16(15)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)/p+1
InChIKeyDKAGNVSJULXQCG-UHFFFAOYSA-O
XLogP1.49
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028658
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9300267
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252029
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9251664
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium (CID 7998678) is (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccccc1NC(=O)C[NH+](C)Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is DKAGNVSJULXQCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19FN2O2/c1-20(11-13-7-9-14(18)10-8-13)12-17(21)19-15-5-3-4-6-16(15)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)/p+1.
What are the key properties of (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium?
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 303.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 7998678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).