[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

C19H23FN3O2+ — CID 8720093

IUPAC[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)NC(=O)NC)c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-3-13-7-9-14(10-8-13)18(15-5-4-6-16(20)11-15)22-12-17(24)23-19(25)21-2/h4-11,18,22H,3,12H2,1-2H3,(H2,21,23,24,25)/p+1/t18-/m0/s1
InChIKeyCJXAFQYBZHENAF-SFHVURJKSA-O
MW344.41 g/mol
LogP1.50
Rot. Bonds6

About [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8720093) has the molecular formula C19H23FN3O2+ and a molecular weight of 344.41 g/mol. Its IUPAC name is [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8720093
Molecular FormulaC19H23FN3O2+
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)NC(=O)NC)c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-3-13-7-9-14(10-8-13)18(15-5-4-6-16(20)11-15)22-12-17(24)23-19(25)21-2/h4-11,18,22H,3,12H2,1-2H3,(H2,21,23,24,25)/p+1/t18-/m0/s1
InChIKeyCJXAFQYBZHENAF-SFHVURJKSA-O
XLogP1.50
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719937
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8830328
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719920
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8830128
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8830223
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8720072
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8830344
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8830016
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8774439
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043

Frequently Asked Questions

What is the IUPAC name of [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (CID 8720093) is [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is CCc1ccc([C@H]([NH2+]CC(=O)NC(=O)NC)c2cccc(F)c2)cc1.
What is the InChIKey of [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is CJXAFQYBZHENAF-SFHVURJKSA-O. The full InChI is InChI=1S/C19H22FN3O2/c1-3-13-7-9-14(10-8-13)18(15-5-4-6-16(20)11-15)22-12-17(24)23-19(25)21-2/h4-11,18,22H,3,12H2,1-2H3,(H2,21,23,24,25)/p+1/t18-/m0/s1.
What are the key properties of [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 344.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8720093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).