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

C10H12BrNO4 — CID 79349776

IUPAC2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
SMILESCOc1ccc(Br)cc1NC(=O)OCCO
InChIInChI=1S/C10H12BrNO4/c1-15-9-3-2-7(11)6-8(9)12-10(14)16-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyKRAGPUKYKIBNJP-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.00
Rot. Bonds4

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

2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate (PubChem CID 79349776) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
PubChem CID79349776
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
SMILESCOc1ccc(Br)cc1NC(=O)OCCO
InChIInChI=1S/C10H12BrNO4/c1-15-9-3-2-7(11)6-8(9)12-10(14)16-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyKRAGPUKYKIBNJP-UHFFFAOYSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
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(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
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3-(5-bromo-2-methoxyphenyl)-1,1-diethylurea
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CID 62380389
3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
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CID 78987917

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate (CID 79349776) is 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate is COc1ccc(Br)cc1NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate?
The InChIKey is KRAGPUKYKIBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-15-9-3-2-7(11)6-8(9)12-10(14)16-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate?
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate has a molecular weight of 290.11 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate is sourced from PubChem (CID 79349776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).