N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide

C11H12BrClFNO2 — CID 114309236

IUPACN-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
SMILESO=C(NCCOCCBr)c1cccc(F)c1Cl
InChIInChI=1S/C11H12BrClFNO2/c12-4-6-17-7-5-15-11(16)8-2-1-3-9(14)10(8)13/h1-3H,4-7H2,(H,15,16)
InChIKeyKSJSTVOKKPTKJK-UHFFFAOYSA-N
MW324.58 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide

N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide (PubChem CID 114309236) has the molecular formula C11H12BrClFNO2 and a molecular weight of 324.58 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
PubChem CID114309236
Molecular FormulaC11H12BrClFNO2
Molecular Weight324.58 g/mol
Exact Mass322.97
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
SMILESO=C(NCCOCCBr)c1cccc(F)c1Cl
InChIInChI=1S/C11H12BrClFNO2/c12-4-6-17-7-5-15-11(16)8-2-1-3-9(14)10(8)13/h1-3H,4-7H2,(H,15,16)
InChIKeyKSJSTVOKKPTKJK-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
CID 114309215
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115299614
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490
5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
CID 81362822
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395
3-bromo-2-chloro-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103989334
2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113268438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide (CID 114309236) is N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide is O=C(NCCOCCBr)c1cccc(F)c1Cl.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide?
The InChIKey is KSJSTVOKKPTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO2/c12-4-6-17-7-5-15-11(16)8-2-1-3-9(14)10(8)13/h1-3H,4-7H2,(H,15,16).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide?
N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide has a molecular weight of 324.58 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 114309236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).