cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium

C20H24FN2O+ — CID 8977593

IUPACcyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c1C
InChIInChI=1S/C20H23FN2O/c1-14-6-5-9-19(15(14)2)22-20(24)13-23(17-10-11-17)12-16-7-3-4-8-18(16)21/h3-9,17H,10-13H2,1-2H3,(H,22,24)/p+1
InChIKeyJRJFNSVMGJOPNQ-UHFFFAOYSA-O
MW327.42 g/mol
LogP2.63
Rot. Bonds6

About cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium

cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium (PubChem CID 8977593) has the molecular formula C20H24FN2O+ and a molecular weight of 327.42 g/mol. Its IUPAC name is cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
PubChem CID8977593
Molecular FormulaC20H24FN2O+
Molecular Weight327.42 g/mol
Exact Mass327.19
IUPAC Namecyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c1C
InChIInChI=1S/C20H23FN2O/c1-14-6-5-9-19(15(14)2)22-20(24)13-23(17-10-11-17)12-16-7-3-4-8-18(16)21/h3-9,17H,10-13H2,1-2H3,(H,22,24)/p+1
InChIKeyJRJFNSVMGJOPNQ-UHFFFAOYSA-O
XLogP2.63
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8978323
cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977686
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977699
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 8977902
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8978120
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 8978143
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium (CID 8977593) is cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium is Cc1cccc(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c1C.
What is the InChIKey of cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The InChIKey is JRJFNSVMGJOPNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN2O/c1-14-6-5-9-19(15(14)2)22-20(24)13-23(17-10-11-17)12-16-7-3-4-8-18(16)21/h3-9,17H,10-13H2,1-2H3,(H,22,24)/p+1.
What are the key properties of cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium has a molecular weight of 327.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8977593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).