cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

C19H21F2N2O+ — CID 8905345

IUPACcyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c(F)c1
InChIInChI=1S/C19H20F2N2O/c1-13-2-9-18(17(21)10-13)22-19(24)12-23(16-7-8-16)11-14-3-5-15(20)6-4-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,24)/p+1
InChIKeyPSEDKGCBFIBYCU-UHFFFAOYSA-O
MW331.39 g/mol
LogP2.46
Rot. Bonds6

About cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 8905345) has the molecular formula C19H21F2N2O+ and a molecular weight of 331.39 g/mol. Its IUPAC name is cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
PubChem CID8905345
Molecular FormulaC19H21F2N2O+
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Namecyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c(F)c1
InChIInChI=1S/C19H20F2N2O/c1-13-2-9-18(17(21)10-13)22-19(24)12-23(16-7-8-16)11-14-3-5-15(20)6-4-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,24)/p+1
InChIKeyPSEDKGCBFIBYCU-UHFFFAOYSA-O
XLogP2.46
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770037
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (CID 8905345) is cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is Cc1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c(F)c1.
What is the InChIKey of cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is PSEDKGCBFIBYCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20F2N2O/c1-13-2-9-18(17(21)10-13)22-19(24)12-23(16-7-8-16)11-14-3-5-15(20)6-4-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,24)/p+1.
What are the key properties of cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 331.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8905345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).