[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

C20H22FN2O2+ — CID 8872509

IUPAC[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(=O)c1cccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-14(24)16-3-2-4-18(11-16)22-20(25)13-23(19-9-10-19)12-15-5-7-17(21)8-6-15/h2-8,11,19H,9-10,12-13H2,1H3,(H,22,25)/p+1
InChIKeyGAAUGFCOMVLRKP-UHFFFAOYSA-O
MW341.41 g/mol
LogP2.21
Rot. Bonds7

About [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 8872509) has the molecular formula C20H22FN2O2+ and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
PubChem CID8872509
Molecular FormulaC20H22FN2O2+
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(=O)c1cccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-14(24)16-3-2-4-18(11-16)22-20(25)13-23(19-9-10-19)12-15-5-7-17(21)8-6-15/h2-8,11,19H,9-10,12-13H2,1H3,(H,22,25)/p+1
InChIKeyGAAUGFCOMVLRKP-UHFFFAOYSA-O
XLogP2.21
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8906848
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8770207

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (CID 8872509) is [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is CC(=O)c1cccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is GAAUGFCOMVLRKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21FN2O2/c1-14(24)16-3-2-4-18(11-16)22-20(25)13-23(19-9-10-19)12-15-5-7-17(21)8-6-15/h2-8,11,19H,9-10,12-13H2,1H3,(H,22,25)/p+1.
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 341.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8872509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).