N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide

C11H13BrFNO3 — CID 115299614

IUPACN-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESO=C(NCCOCCBr)c1cc(F)ccc1O
InChIInChI=1S/C11H13BrFNO3/c12-3-5-17-6-4-14-11(16)9-7-8(13)1-2-10(9)15/h1-2,7,15H,3-6H2,(H,14,16)
InChIKeyRYRVOMPZDWAVDW-UHFFFAOYSA-N
MW306.13 g/mol
LogP1.67
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide

N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115299614) has the molecular formula C11H13BrFNO3 and a molecular weight of 306.13 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
PubChem CID115299614
Molecular FormulaC11H13BrFNO3
Molecular Weight306.13 g/mol
Exact Mass305.01
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESO=C(NCCOCCBr)c1cc(F)ccc1O
InChIInChI=1S/C11H13BrFNO3/c12-3-5-17-6-4-14-11(16)9-7-8(13)1-2-10(9)15/h1-2,7,15H,3-6H2,(H,14,16)
InChIKeyRYRVOMPZDWAVDW-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
5-fluoro-2-hydroxy-N-(4-methoxybutyl)benzamide
CID 79523733
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
N-(2-bromoprop-2-enyl)-5-fluoro-2-hydroxybenzamide
CID 115681931
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
CID 114309236
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide (CID 115299614) is N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide is O=C(NCCOCCBr)c1cc(F)ccc1O.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is RYRVOMPZDWAVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3/c12-3-5-17-6-4-14-11(16)9-7-8(13)1-2-10(9)15/h1-2,7,15H,3-6H2,(H,14,16).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide?
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 306.13 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).