N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide

C12H13BrClF2NO3 — CID 103028857

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C12H13BrClF2NO3/c1-12(2,19-3)10(18)17-8-5-6(14)4-7(13)9(8)20-11(15)16/h4-5,11H,1-3H3,(H,17,18)
InChIKeyKPEJZCIRRTWLCW-UHFFFAOYSA-N
MW372.59 g/mol
LogP4.07
Rot. Bonds5

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103028857) has the molecular formula C12H13BrClF2NO3 and a molecular weight of 372.59 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103028857
Molecular FormulaC12H13BrClF2NO3
Molecular Weight372.59 g/mol
Exact Mass370.97
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C12H13BrClF2NO3/c1-12(2,19-3)10(18)17-8-5-6(14)4-7(13)9(8)20-11(15)16/h4-5,11H,1-3H3,(H,17,18)
InChIKeyKPEJZCIRRTWLCW-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide (CID 103028857) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is KPEJZCIRRTWLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClF2NO3/c1-12(2,19-3)10(18)17-8-5-6(14)4-7(13)9(8)20-11(15)16/h4-5,11H,1-3H3,(H,17,18).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 372.59 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).