N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide

C10H11BrFNO2 — CID 115299557

IUPACN-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CCBr)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C10H11BrFNO2/c1-13(5-4-11)10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3
InChIKeyYNZNZIOTEIWPDY-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.00
Rot. Bonds3

About N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide

N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 115299557) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID115299557
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC NameN-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CCBr)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C10H11BrFNO2/c1-13(5-4-11)10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3
InChIKeyYNZNZIOTEIWPDY-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide (CID 115299557) is N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide is CN(CCBr)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is YNZNZIOTEIWPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-13(5-4-11)10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 276.11 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 115299557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).