N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide

C11H12BrF2NO2 — CID 51103788

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C11H12BrF2NO2/c1-2-10(16)15-6-7-5-8(12)3-4-9(7)17-11(13)14/h3-5,11H,2,6H2,1H3,(H,15,16)
InChIKeyDKECJEWFTNUXEV-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.08
Rot. Bonds5

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 51103788) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID51103788
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C11H12BrF2NO2/c1-2-10(16)15-6-7-5-8(12)3-4-9(7)17-11(13)14/h3-5,11H,2,6H2,1H3,(H,15,16)
InChIKeyDKECJEWFTNUXEV-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide (CID 51103788) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide is CCC(=O)NCc1cc(Br)ccc1OC(F)F.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is DKECJEWFTNUXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c1-2-10(16)15-6-7-5-8(12)3-4-9(7)17-11(13)14/h3-5,11H,2,6H2,1H3,(H,15,16).
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 308.12 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 51103788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).