N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide

C13H16BrF2NO3 — CID 106307192

IUPACN-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCCOCCBr)c1ccccc1OC(F)F
InChIInChI=1S/C13H16BrF2NO3/c14-6-9-19-8-3-7-17-12(18)10-4-1-2-5-11(10)20-13(15)16/h1-2,4-5,13H,3,6-9H2,(H,17,18)
InChIKeyXODGOBKOFRYNQC-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.82
Rot. Bonds9

About N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide

N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide (PubChem CID 106307192) has the molecular formula C13H16BrF2NO3 and a molecular weight of 352.18 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
PubChem CID106307192
Molecular FormulaC13H16BrF2NO3
Molecular Weight352.18 g/mol
Exact Mass351.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCCOCCBr)c1ccccc1OC(F)F
InChIInChI=1S/C13H16BrF2NO3/c14-6-9-19-8-3-7-17-12(18)10-4-1-2-5-11(10)20-13(15)16/h1-2,4-5,13H,3,6-9H2,(H,17,18)
InChIKeyXODGOBKOFRYNQC-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide (CID 106307192) is N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide is O=C(NCCCOCCBr)c1ccccc1OC(F)F.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide?
The InChIKey is XODGOBKOFRYNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO3/c14-6-9-19-8-3-7-17-12(18)10-4-1-2-5-11(10)20-13(15)16/h1-2,4-5,13H,3,6-9H2,(H,17,18).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide?
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide has a molecular weight of 352.18 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 106307192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).