[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium

C18H23FN3O+ — CID 8978211

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
SMILESN#CC1(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)CCCC1
InChIInChI=1S/C18H22FN3O/c19-16-6-2-1-5-14(16)11-22(15-7-8-15)12-17(23)21-18(13-20)9-3-4-10-18/h1-2,5-6,15H,3-4,7-12H2,(H,21,23)/p+1
InChIKeyODLDNYKMMXPRPZ-UHFFFAOYSA-O
MW316.40 g/mol
LogP1.33
Rot. Bonds6

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium (PubChem CID 8978211) has the molecular formula C18H23FN3O+ and a molecular weight of 316.40 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
PubChem CID8978211
Molecular FormulaC18H23FN3O+
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
SMILESN#CC1(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)CCCC1
InChIInChI=1S/C18H22FN3O/c19-16-6-2-1-5-14(16)11-22(15-7-8-15)12-17(23)21-18(13-20)9-3-4-10-18/h1-2,5-6,15H,3-4,7-12H2,(H,21,23)/p+1
InChIKeyODLDNYKMMXPRPZ-UHFFFAOYSA-O
XLogP1.33
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977686
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977593
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977699
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 8978143
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8978261
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium (CID 8978211) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium is N#CC1(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
The InChIKey is ODLDNYKMMXPRPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22FN3O/c19-16-6-2-1-5-14(16)11-22(15-7-8-15)12-17(23)21-18(13-20)9-3-4-10-18/h1-2,5-6,15H,3-4,7-12H2,(H,21,23)/p+1.
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium has a molecular weight of 316.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8978211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).