2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate

C9H9Cl2NO3 — CID 79346256

IUPAC2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)OCCO
InChIInChI=1S/C9H9Cl2NO3/c10-6-1-2-7(11)8(5-6)12-9(14)15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyXTHFZHVJUALFMP-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.53
Rot. Bonds3

About 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate

2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate (PubChem CID 79346256) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
PubChem CID79346256
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)OCCO
InChIInChI=1S/C9H9Cl2NO3/c10-6-1-2-7(11)8(5-6)12-9(14)15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyXTHFZHVJUALFMP-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81272508
2-hydroxyethyl N-(2-chloro-5-sulfamoylphenyl)carbamate
CID 79345913
2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
CID 30027
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
2-bromoethyl N-(2,4-dichlorophenyl)carbamate
CID 4092025
2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
CID 79346610
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
CID 113249966

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate (CID 79346256) is 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate is O=C(Nc1cc(Cl)ccc1Cl)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate?
The InChIKey is XTHFZHVJUALFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c10-6-1-2-7(11)8(5-6)12-9(14)15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate?
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate has a molecular weight of 250.08 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 79346256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).