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

C22H27FN3O2+ — CID 8978120

IUPACcyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)CN(C)C(=O)C[NH+](Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-7-9-18(10-8-16)24-21(27)14-25(2)22(28)15-26(19-11-12-19)13-17-5-3-4-6-20(17)23/h3-10,19H,11-15H2,1-2H3,(H,24,27)/p+1
InChIKeyRXTDULCMTKAFJK-UHFFFAOYSA-O
MW384.48 g/mol
LogP1.78
Rot. Bonds8

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

cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 8978120) has the molecular formula C22H27FN3O2+ and a molecular weight of 384.48 g/mol. Its IUPAC name is cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID8978120
Molecular FormulaC22H27FN3O2+
Molecular Weight384.48 g/mol
Exact Mass384.21
IUPAC Namecyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)CN(C)C(=O)C[NH+](Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-7-9-18(10-8-16)24-21(27)14-25(2)22(28)15-26(19-11-12-19)13-17-5-3-4-6-20(17)23/h3-10,19H,11-15H2,1-2H3,(H,24,27)/p+1
InChIKeyRXTDULCMTKAFJK-UHFFFAOYSA-O
XLogP1.78
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977593
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8712336
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8978323
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239
2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9197047
5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 55605253
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 8978120) is cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is Cc1ccc(NC(=O)CN(C)C(=O)C[NH+](Cc2ccccc2F)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is RXTDULCMTKAFJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26FN3O2/c1-16-7-9-18(10-8-16)24-21(27)14-25(2)22(28)15-26(19-11-12-19)13-17-5-3-4-6-20(17)23/h3-10,19H,11-15H2,1-2H3,(H,24,27)/p+1.
What are the key properties of cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 384.48 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8978120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).