N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide

C10H11BrFNO2 — CID 81284787

IUPACN-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCBr)ccc1F
InChIInChI=1S/C10H11BrFNO2/c1-15-9-6-7(2-3-8(9)12)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNAAOHCYPJVFWIJ-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.96
Rot. Bonds4

About N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide

N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81284787) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
PubChem CID81284787
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC NameN-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCBr)ccc1F
InChIInChI=1S/C10H11BrFNO2/c1-15-9-6-7(2-3-8(9)12)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNAAOHCYPJVFWIJ-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.96
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-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide (CID 81284787) is N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCCBr)ccc1F.
What is the InChIKey of N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is NAAOHCYPJVFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-15-9-6-7(2-3-8(9)12)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide?
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 276.11 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81284787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).