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

C9H7BrClF2NO2 — CID 60714530

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C9H7BrClF2NO2/c1-4(15)14-7-3-5(11)2-6(10)8(7)16-9(12)13/h2-3,9H,1H3,(H,14,15)
InChIKeyRCGJNPPFTFYCMT-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.66
Rot. Bonds3

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

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide (PubChem CID 60714530) has the molecular formula C9H7BrClF2NO2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide
PubChem CID60714530
Molecular FormulaC9H7BrClF2NO2
Molecular Weight314.51 g/mol
Exact Mass312.93
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C9H7BrClF2NO2/c1-4(15)14-7-3-5(11)2-6(10)8(7)16-9(12)13/h2-3,9H,1H3,(H,14,15)
InChIKeyRCGJNPPFTFYCMT-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.66
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]acetamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide (CID 60714530) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide is CC(=O)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is RCGJNPPFTFYCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF2NO2/c1-4(15)14-7-3-5(11)2-6(10)8(7)16-9(12)13/h2-3,9H,1H3,(H,14,15).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 314.51 g/mol, XLogP of 3.66, 3 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]acetamide is sourced from PubChem (CID 60714530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).