[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium

C14H19FN3O2+ — CID 8909074

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC1CC1)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-18(8-10-3-2-4-11(15)7-10)9-13(19)17-14(20)16-12-5-6-12/h2-4,7,12H,5-6,8-9H2,1H3,(H2,16,17,19,20)/p+1
InChIKeyAKMMPVUWGULLNT-UHFFFAOYSA-O
MW280.32 g/mol
LogP-0.17
Rot. Bonds5

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium (PubChem CID 8909074) has the molecular formula C14H19FN3O2+ and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
PubChem CID8909074
Molecular FormulaC14H19FN3O2+
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC1CC1)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-18(8-10-3-2-4-11(15)7-10)9-13(19)17-14(20)16-12-5-6-12/h2-4,7,12H,5-6,8-9H2,1H3,(H2,16,17,19,20)/p+1
InChIKeyAKMMPVUWGULLNT-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-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 9058327
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9197194
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8961887
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(4-bromoanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8908958
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 2577327
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8961732

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium (CID 8909074) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)NC(=O)NC1CC1)Cc1cccc(F)c1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The InChIKey is AKMMPVUWGULLNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18FN3O2/c1-18(8-10-3-2-4-11(15)7-10)9-13(19)17-14(20)16-12-5-6-12/h2-4,7,12H,5-6,8-9H2,1H3,(H2,16,17,19,20)/p+1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium 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 [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8909074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).