cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C22H28FN2O2+ — CID 9300267

IUPACcyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H27FN2O2/c1-27-21-10-6-5-9-20(21)24-22(26)16-25(19-7-3-2-4-8-19)15-17-11-13-18(23)14-12-17/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,24,26)/p+1
InChIKeyOEYMYFCRXKUSNT-UHFFFAOYSA-O
MW371.48 g/mol
LogP3.19
Rot. Bonds7

About cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium

cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9300267) has the molecular formula C22H28FN2O2+ and a molecular weight of 371.48 g/mol. Its IUPAC name is cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9300267
Molecular FormulaC22H28FN2O2+
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Namecyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H27FN2O2/c1-27-21-10-6-5-9-20(21)24-22(26)16-25(19-7-3-2-4-8-19)15-17-11-13-18(23)14-12-17/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,24,26)/p+1
InChIKeyOEYMYFCRXKUSNT-UHFFFAOYSA-O
XLogP3.19
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 8710974
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300274
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300165
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium
CID 8906925
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 9300267) is cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium is COc1ccccc1NC(=O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is OEYMYFCRXKUSNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27FN2O2/c1-27-21-10-6-5-9-20(21)24-22(26)16-25(19-7-3-2-4-8-19)15-17-11-13-18(23)14-12-17/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,24,26)/p+1.
What are the key properties of cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 371.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9300267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).