N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide

C12H14BrF2NO2 — CID 106307478

IUPACN-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
SMILESO=C(NCCCOCCBr)c1cc(F)ccc1F
InChIInChI=1S/C12H14BrF2NO2/c13-4-7-18-6-1-5-16-12(17)10-8-9(14)2-3-11(10)15/h2-3,8H,1,4-7H2,(H,16,17)
InChIKeySNVLQPCLRUCLHL-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide

N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide (PubChem CID 106307478) has the molecular formula C12H14BrF2NO2 and a molecular weight of 322.15 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
PubChem CID106307478
Molecular FormulaC12H14BrF2NO2
Molecular Weight322.15 g/mol
Exact Mass321.02
IUPAC NameN-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
SMILESO=C(NCCCOCCBr)c1cc(F)ccc1F
InChIInChI=1S/C12H14BrF2NO2/c13-4-7-18-6-1-5-16-12(17)10-8-9(14)2-3-11(10)15/h2-3,8H,1,4-7H2,(H,16,17)
InChIKeySNVLQPCLRUCLHL-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.50
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-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115299614
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
N-[3-(2-bromoethoxy)propyl]-3-chloro-4-fluorobenzamide
CID 114171496
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide (CID 106307478) is N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide is O=C(NCCCOCCBr)c1cc(F)ccc1F.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide?
The InChIKey is SNVLQPCLRUCLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO2/c13-4-7-18-6-1-5-16-12(17)10-8-9(14)2-3-11(10)15/h2-3,8H,1,4-7H2,(H,16,17).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide?
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide has a molecular weight of 322.15 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide is sourced from PubChem (CID 106307478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).