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

C11H9BrClF2NO2 — CID 18153350

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC1
InChIInChI=1S/C11H9BrClF2NO2/c12-7-3-6(13)4-8(9(7)18-11(14)15)16-10(17)5-1-2-5/h3-5,11H,1-2H2,(H,16,17)
InChIKeyMSXGBZQWWSZCOG-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.05
Rot. Bonds4

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

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide (PubChem CID 18153350) has the molecular formula C11H9BrClF2NO2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide
PubChem CID18153350
Molecular FormulaC11H9BrClF2NO2
Molecular Weight340.55 g/mol
Exact Mass338.95
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC1
InChIInChI=1S/C11H9BrClF2NO2/c12-7-3-6(13)4-8(9(7)18-11(14)15)16-10(17)5-1-2-5/h3-5,11H,1-2H2,(H,16,17)
InChIKeyMSXGBZQWWSZCOG-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide (CID 18153350) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide is O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC1.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is MSXGBZQWWSZCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClF2NO2/c12-7-3-6(13)4-8(9(7)18-11(14)15)16-10(17)5-1-2-5/h3-5,11H,1-2H2,(H,16,17).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 340.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 18153350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).