4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide

C11H12BrClFNO2 — CID 114297825

IUPAC4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
SMILESO=C(NCCOCCCl)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrClFNO2/c12-9-2-1-8(7-10(9)14)11(16)15-4-6-17-5-3-13/h1-2,7H,3-6H2,(H,15,16)
InChIKeyWMFLNNAFPBFMOP-UHFFFAOYSA-N
MW324.58 g/mol
LogP2.57
Rot. Bonds6

About 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide

4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide (PubChem CID 114297825) has the molecular formula C11H12BrClFNO2 and a molecular weight of 324.58 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
PubChem CID114297825
Molecular FormulaC11H12BrClFNO2
Molecular Weight324.58 g/mol
Exact Mass322.97
IUPAC Name4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
SMILESO=C(NCCOCCCl)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrClFNO2/c12-9-2-1-8(7-10(9)14)11(16)15-4-6-17-5-3-13/h1-2,7H,3-6H2,(H,15,16)
InChIKeyWMFLNNAFPBFMOP-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-N-[3-(2-chloroethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106306628
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
CID 60622543
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide (CID 114297825) is 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide is O=C(NCCOCCCl)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide?
The InChIKey is WMFLNNAFPBFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO2/c12-9-2-1-8(7-10(9)14)11(16)15-4-6-17-5-3-13/h1-2,7H,3-6H2,(H,15,16).
What are the key properties of 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide?
4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide has a molecular weight of 324.58 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 114297825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).