[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium

C10H12ClN2O4+ — CID 147632611

IUPAC[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
SMILESNC(=O)OC(COC([NH3+])=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-7-4-2-1-3-6(7)8(17-10(13)15)5-16-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)/p+1
InChIKeyGFZSXKJIDFDGFF-UHFFFAOYSA-O
MW259.67 g/mol
LogP0.85
Rot. Bonds4

About [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium

[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium (PubChem CID 147632611) has the molecular formula C10H12ClN2O4+ and a molecular weight of 259.67 g/mol. Its IUPAC name is [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium.

Molecular Properties

Compound Name[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
PubChem CID147632611
Molecular FormulaC10H12ClN2O4+
Molecular Weight259.67 g/mol
Exact Mass259.05
IUPAC Name[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
SMILESNC(=O)OC(COC([NH3+])=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-7-4-2-1-3-6(7)8(17-10(13)15)5-16-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)/p+1
InChIKeyGFZSXKJIDFDGFF-UHFFFAOYSA-O
XLogP0.85
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
[(1R,3R)-1-(2-chlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407128
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate
CID 124560204
[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
CID 142378040
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
CID 175407136
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416

Frequently Asked Questions

What is the IUPAC name of [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium?
The IUPAC name of [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium (CID 147632611) is [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium.
What is the SMILES notation for [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium?
The canonical SMILES for [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium is NC(=O)OC(COC([NH3+])=O)c1ccccc1Cl.
What is the InChIKey of [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium?
The InChIKey is GFZSXKJIDFDGFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11ClN2O4/c11-7-4-2-1-3-6(7)8(17-10(13)15)5-16-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)/p+1.
What are the key properties of [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium?
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium has a molecular weight of 259.67 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium is sourced from PubChem (CID 147632611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).