N-(2-bromoethyl)-3-fluoro-N-methylbenzamide

C10H11BrFNO — CID 80659799

IUPACN-(2-bromoethyl)-3-fluoro-N-methylbenzamide
SMILESCN(CCBr)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H11BrFNO/c1-13(6-5-11)10(14)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3
InChIKeyZVFCXRZTIAIUDX-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.29
Rot. Bonds3

About N-(2-bromoethyl)-3-fluoro-N-methylbenzamide

N-(2-bromoethyl)-3-fluoro-N-methylbenzamide (PubChem CID 80659799) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-fluoro-N-methylbenzamide
PubChem CID80659799
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC NameN-(2-bromoethyl)-3-fluoro-N-methylbenzamide
SMILESCN(CCBr)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H11BrFNO/c1-13(6-5-11)10(14)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3
InChIKeyZVFCXRZTIAIUDX-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-3-fluoro-N-methylbenzamide 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

3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide
CID 4743909
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-bromoethyl)-3-fluoro-N-methylbenzamide (CID 80659799) is N-(2-bromoethyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-3-fluoro-N-methylbenzamide is CN(CCBr)C(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-bromoethyl)-3-fluoro-N-methylbenzamide?
The InChIKey is ZVFCXRZTIAIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-13(6-5-11)10(14)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-3-fluoro-N-methylbenzamide?
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide has a molecular weight of 260.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 80659799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).