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

C10H12BrNO3 — CID 79348702

IUPAC2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
SMILESCc1ccc(Br)cc1NC(=O)OCCO
InChIInChI=1S/C10H12BrNO3/c1-7-2-3-8(11)6-9(7)12-10(14)15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyISJDQCGNIGHVLJ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.30
Rot. Bonds3

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

2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate (PubChem CID 79348702) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
PubChem CID79348702
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
SMILESCc1ccc(Br)cc1NC(=O)OCCO
InChIInChI=1S/C10H12BrNO3/c1-7-2-3-8(11)6-9(7)12-10(14)15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyISJDQCGNIGHVLJ-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
CID 115180320
2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81272508
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate (CID 79348702) is 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate is Cc1ccc(Br)cc1NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate?
The InChIKey is ISJDQCGNIGHVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7-2-3-8(11)6-9(7)12-10(14)15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate?
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate has a molecular weight of 274.11 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate is sourced from PubChem (CID 79348702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).