[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

C21H24FN2O2+ — CID 8905141

IUPAC[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C21H23FN2O2/c1-14(21(26)23-19-9-5-17(6-10-19)15(2)25)24(20-11-12-20)13-16-3-7-18(22)8-4-16/h3-10,14,20H,11-13H2,1-2H3,(H,23,26)/p+1/t14-/m1/s1
InChIKeyWZFHIZYTASQBRL-CQSZACIVSA-O
MW355.43 g/mol
LogP2.60
Rot. Bonds7

About [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 8905141) has the molecular formula C21H24FN2O2+ and a molecular weight of 355.43 g/mol. Its IUPAC name is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
PubChem CID8905141
Molecular FormulaC21H24FN2O2+
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C21H23FN2O2/c1-14(21(26)23-19-9-5-17(6-10-19)15(2)25)24(20-11-12-20)13-16-3-7-18(22)8-4-16/h3-10,14,20H,11-13H2,1-2H3,(H,23,26)/p+1/t14-/m1/s1
InChIKeyWZFHIZYTASQBRL-CQSZACIVSA-O
XLogP2.60
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905747
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915654
cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
CID 8905162
cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915940
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003362
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8552348
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8872509
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2549849

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (CID 8905141) is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is WZFHIZYTASQBRL-CQSZACIVSA-O. The full InChI is InChI=1S/C21H23FN2O2/c1-14(21(26)23-19-9-5-17(6-10-19)15(2)25)24(20-11-12-20)13-16-3-7-18(22)8-4-16/h3-10,14,20H,11-13H2,1-2H3,(H,23,26)/p+1/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 355.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8905141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).