(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium

C22H22FN2O2+ — CID 9251939

IUPAC(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2/c1-25(15-17-11-13-18(23)14-12-17)16-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)/p+1
InChIKeyFVKAJVDMALJFET-UHFFFAOYSA-O
MW365.43 g/mol
LogP3.27
Rot. Bonds7

About (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium

(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium (PubChem CID 9251939) has the molecular formula C22H22FN2O2+ and a molecular weight of 365.43 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
PubChem CID9251939
Molecular FormulaC22H22FN2O2+
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2/c1-25(15-17-11-13-18(23)14-12-17)16-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)/p+1
InChIKeyFVKAJVDMALJFET-UHFFFAOYSA-O
XLogP3.27
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9294082
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028658
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252029
(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9251664

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
The IUPAC name of (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium (CID 9251939) is (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
The canonical SMILES for (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium is C[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
The InChIKey is FVKAJVDMALJFET-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21FN2O2/c1-25(15-17-11-13-18(23)14-12-17)16-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)/p+1.
What are the key properties of (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium has a molecular weight of 365.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium is sourced from PubChem (CID 9251939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).