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

C20H24FN2O+ — CID 8906702

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CNC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H23FN2O/c1-15-4-2-3-5-17(15)12-22-20(24)14-23(19-10-11-19)13-16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3,(H,22,24)/p+1
InChIKeyGVODKZWWGPZJQS-UHFFFAOYSA-O
MW327.42 g/mol
LogP2.00
Rot. Bonds7

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

cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8906702) has the molecular formula C20H24FN2O+ and a molecular weight of 327.42 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8906702
Molecular FormulaC20H24FN2O+
Molecular Weight327.42 g/mol
Exact Mass327.19
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CNC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H23FN2O/c1-15-4-2-3-5-17(15)12-22-20(24)14-23(19-10-11-19)13-16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3,(H,22,24)/p+1
InChIKeyGVODKZWWGPZJQS-UHFFFAOYSA-O
XLogP2.00
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
[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
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905345

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium (CID 8906702) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium is Cc1ccccc1CNC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is GVODKZWWGPZJQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN2O/c1-15-4-2-3-5-17(15)12-22-20(24)14-23(19-10-11-19)13-16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3,(H,22,24)/p+1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 327.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8906702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).