5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide

C11H12BrF2NO3 — CID 103097013

IUPAC5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
SMILESO=C(NCCOCC(F)F)c1cc(Br)ccc1O
InChIInChI=1S/C11H12BrF2NO3/c12-7-1-2-9(16)8(5-7)11(17)15-3-4-18-6-10(13)14/h1-2,5,10,16H,3-4,6H2,(H,15,17)
InChIKeyKWBITJJZCZSACR-UHFFFAOYSA-N
MW324.12 g/mol
LogP2.17
Rot. Bonds6

About 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide

5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide (PubChem CID 103097013) has the molecular formula C11H12BrF2NO3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
PubChem CID103097013
Molecular FormulaC11H12BrF2NO3
Molecular Weight324.12 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
SMILESO=C(NCCOCC(F)F)c1cc(Br)ccc1O
InChIInChI=1S/C11H12BrF2NO3/c12-7-1-2-9(16)8(5-7)11(17)15-3-4-18-6-10(13)14/h1-2,5,10,16H,3-4,6H2,(H,15,17)
InChIKeyKWBITJJZCZSACR-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115299614
N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 103099351
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide (CID 103097013) is 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide is O=C(NCCOCC(F)F)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
The InChIKey is KWBITJJZCZSACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO3/c12-7-1-2-9(16)8(5-7)11(17)15-3-4-18-6-10(13)14/h1-2,5,10,16H,3-4,6H2,(H,15,17).
What are the key properties of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide has a molecular weight of 324.12 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 103097013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).