[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

C20H25F2N2O2+ — CID 9028860

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H24F2N2O2/c1-14(2)16-6-4-15(5-7-16)12-24(3)13-19(25)23-17-8-10-18(11-9-17)26-20(21)22/h4-11,14,20H,12-13H2,1-3H3,(H,23,25)/p+1
InChIKeyGIJSNHJAVYGYDF-UHFFFAOYSA-O
MW363.43 g/mol
LogP3.06
Rot. Bonds8

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 9028860) has the molecular formula C20H25F2N2O2+ and a molecular weight of 363.43 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID9028860
Molecular FormulaC20H25F2N2O2+
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H24F2N2O2/c1-14(2)16-6-4-15(5-7-16)12-24(3)13-19(25)23-17-8-10-18(11-9-17)26-20(21)22/h4-11,14,20H,12-13H2,1-3H3,(H,23,25)/p+1
InChIKeyGIJSNHJAVYGYDF-UHFFFAOYSA-O
XLogP3.06
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8709316
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023767
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9023444
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9265045
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8966062
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023440
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8798352
methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028589

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 9028860) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is GIJSNHJAVYGYDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24F2N2O2/c1-14(2)16-6-4-15(5-7-16)12-24(3)13-19(25)23-17-8-10-18(11-9-17)26-20(21)22/h4-11,14,20H,12-13H2,1-3H3,(H,23,25)/p+1.
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 363.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 9028860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).