2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate

C10H10ClNO5 — CID 79346610

IUPAC2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
SMILESO=C(Nc1cc2c(cc1Cl)OCO2)OCCO
InChIInChI=1S/C10H10ClNO5/c11-6-3-8-9(17-5-16-8)4-7(6)12-10(14)15-2-1-13/h3-4,13H,1-2,5H2,(H,12,14)
InChIKeyNUJYQLSRRDBENG-UHFFFAOYSA-N
MW259.64 g/mol
LogP1.61
Rot. Bonds3

About 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate

2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate (PubChem CID 79346610) has the molecular formula C10H10ClNO5 and a molecular weight of 259.64 g/mol. Its IUPAC name is 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
PubChem CID79346610
Molecular FormulaC10H10ClNO5
Molecular Weight259.64 g/mol
Exact Mass259.02
IUPAC Name2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
SMILESO=C(Nc1cc2c(cc1Cl)OCO2)OCCO
InChIInChI=1S/C10H10ClNO5/c11-6-3-8-9(17-5-16-8)4-7(6)12-10(14)15-2-1-13/h3-4,13H,1-2,5H2,(H,12,14)
InChIKeyNUJYQLSRRDBENG-UHFFFAOYSA-N
XLogP1.61
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
N-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 43616646
1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
CID 43703610
4-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylbutanamide
CID 80543534
2-(aminomethyl)-N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 65224990
1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate
CID 5225250
6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 107260856
2-hydroxyethyl N-(2-chloro-5-sulfamoylphenyl)carbamate
CID 79345913

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate (CID 79346610) is 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate is O=C(Nc1cc2c(cc1Cl)OCO2)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate?
The InChIKey is NUJYQLSRRDBENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO5/c11-6-3-8-9(17-5-16-8)4-7(6)12-10(14)15-2-1-13/h3-4,13H,1-2,5H2,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate?
2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate has a molecular weight of 259.64 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate is sourced from PubChem (CID 79346610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).