cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

C21H24F3N2O2+ — CID 8906875

IUPACcyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F3N2O2/c22-17-5-1-16(2-6-17)13-26(18-7-8-18)14-20(27)25-12-11-15-3-9-19(10-4-15)28-21(23)24/h1-6,9-10,18,21H,7-8,11-14H2,(H,25,27)/p+1
InChIKeyVOZVPQQCSSONOS-UHFFFAOYSA-O
MW393.43 g/mol
LogP2.33
Rot. Bonds10

About cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 8906875) has the molecular formula C21H24F3N2O2+ and a molecular weight of 393.43 g/mol. Its IUPAC name is cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
PubChem CID8906875
Molecular FormulaC21H24F3N2O2+
Molecular Weight393.43 g/mol
Exact Mass393.18
IUPAC Namecyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F3N2O2/c22-17-5-1-16(2-6-17)13-26(18-7-8-18)14-20(27)25-12-11-15-3-9-19(10-4-15)28-21(23)24/h1-6,9-10,18,21H,7-8,11-14H2,(H,25,27)/p+1
InChIKeyVOZVPQQCSSONOS-UHFFFAOYSA-O
XLogP2.33
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8906692
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 8904931
2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 78808475
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 55408656
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium
CID 8787296
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (CID 8906875) is cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is VOZVPQQCSSONOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23F3N2O2/c22-17-5-1-16(2-6-17)13-26(18-7-8-18)14-20(27)25-12-11-15-3-9-19(10-4-15)28-21(23)24/h1-6,9-10,18,21H,7-8,11-14H2,(H,25,27)/p+1.
What are the key properties of cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 393.43 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8906875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).