2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate

C9H9BrClNO3 — CID 81272508

IUPAC2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Br)OCCO
InChIInChI=1S/C9H9BrClNO3/c10-7-2-1-6(11)5-8(7)12-9(14)15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyIGCVKOJEJXLLLD-UHFFFAOYSA-N
MW294.53 g/mol
LogP2.64
Rot. Bonds3

About 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate

2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate (PubChem CID 81272508) has the molecular formula C9H9BrClNO3 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
PubChem CID81272508
Molecular FormulaC9H9BrClNO3
Molecular Weight294.53 g/mol
Exact Mass292.95
IUPAC Name2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Br)OCCO
InChIInChI=1S/C9H9BrClNO3/c10-7-2-1-6(11)5-8(7)12-9(14)15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyIGCVKOJEJXLLLD-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81271801
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
2-bromoethyl N-(2,4-dichlorophenyl)carbamate
CID 4092025
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
2-hydroxyethyl N-(2-chloro-5-sulfamoylphenyl)carbamate
CID 79345913
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828516

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate (CID 81272508) is 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate is O=C(Nc1cc(Cl)ccc1Br)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate?
The InChIKey is IGCVKOJEJXLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO3/c10-7-2-1-6(11)5-8(7)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-bromo-5-chlorophenyl)carbamate?
2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate has a molecular weight of 294.53 g/mol, XLogP of 2.64, 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-bromo-5-chlorophenyl)carbamate is sourced from PubChem (CID 81272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).