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

C14H19FN3O2+ — CID 8905597

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FN3O2/c1-16-14(20)17-13(19)9-18(12-6-7-12)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H2,16,17,19,20)/p+1
InChIKeyHQTQASPOUZAKQT-UHFFFAOYSA-O
MW280.32 g/mol
LogP-0.17
Rot. Bonds5

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

cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8905597) has the molecular formula C14H19FN3O2+ and a molecular weight of 280.32 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8905597
Molecular FormulaC14H19FN3O2+
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FN3O2/c1-16-14(20)17-13(19)9-18(12-6-7-12)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H2,16,17,19,20)/p+1
InChIKeyHQTQASPOUZAKQT-UHFFFAOYSA-O
XLogP-0.17
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8906036
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300165
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
[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-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
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-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905345
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8906702
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 8904931

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (CID 8905597) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is CNC(=O)NC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is HQTQASPOUZAKQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18FN3O2/c1-16-14(20)17-13(19)9-18(12-6-7-12)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H2,16,17,19,20)/p+1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 280.32 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8905597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).