2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate

C9H8BrF2NO3 — CID 79349431

IUPAC2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
SMILESO=C(Nc1c(F)cc(Br)cc1F)OCCO
InChIInChI=1S/C9H8BrF2NO3/c10-5-3-6(11)8(7(12)4-5)13-9(15)16-2-1-14/h3-4,14H,1-2H2,(H,13,15)
InChIKeyQUJUUZYABWLREW-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.27
Rot. Bonds3

About 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate

2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate (PubChem CID 79349431) has the molecular formula C9H8BrF2NO3 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
PubChem CID79349431
Molecular FormulaC9H8BrF2NO3
Molecular Weight296.07 g/mol
Exact Mass294.97
IUPAC Name2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
SMILESO=C(Nc1c(F)cc(Br)cc1F)OCCO
InChIInChI=1S/C9H8BrF2NO3/c10-5-3-6(11)8(7(12)4-5)13-9(15)16-2-1-14/h3-4,14H,1-2H2,(H,13,15)
InChIKeyQUJUUZYABWLREW-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,5-dibromo-2-(2-hydroxyethoxycarbonylamino)benzoate
CID 79345517
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81272508
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346581

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate (CID 79349431) is 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate is O=C(Nc1c(F)cc(Br)cc1F)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate?
The InChIKey is QUJUUZYABWLREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO3/c10-5-3-6(11)8(7(12)4-5)13-9(15)16-2-1-14/h3-4,14H,1-2H2,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate?
2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate has a molecular weight of 296.07 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate is sourced from PubChem (CID 79349431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).