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

C20H23FN3O2+ — CID 8905025

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-14(25)22-17-6-8-18(9-7-17)23-20(26)13-24(19-10-11-19)12-15-2-4-16(21)5-3-15/h2-9,19H,10-13H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyAYGGGBZGFJTRGP-UHFFFAOYSA-O
MW356.42 g/mol
LogP1.97
Rot. Bonds7

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

[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 8905025) has the molecular formula C20H23FN3O2+ and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
PubChem CID8905025
Molecular FormulaC20H23FN3O2+
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-14(25)22-17-6-8-18(9-7-17)23-20(26)13-24(19-10-11-19)12-15-2-4-16(21)5-3-15/h2-9,19H,10-13H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyAYGGGBZGFJTRGP-UHFFFAOYSA-O
XLogP1.97
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8872509
[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300274
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8906848
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 8904931

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (CID 8905025) is [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is CC(=O)Nc1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is AYGGGBZGFJTRGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22FN3O2/c1-14(25)22-17-6-8-18(9-7-17)23-20(26)13-24(19-10-11-19)12-15-2-4-16(21)5-3-15/h2-9,19H,10-13H2,1H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 356.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8905025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).