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

C9H6BrCl2F2NO2 — CID 43698111

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C9H6BrCl2F2NO2/c10-5-1-4(12)2-6(15-7(16)3-11)8(5)17-9(13)14/h1-2,9H,3H2,(H,15,16)
InChIKeyUEFVVJKTRVIYJF-UHFFFAOYSA-N
MW348.96 g/mol
LogP3.88
Rot. Bonds4

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

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide (PubChem CID 43698111) has the molecular formula C9H6BrCl2F2NO2 and a molecular weight of 348.96 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
PubChem CID43698111
Molecular FormulaC9H6BrCl2F2NO2
Molecular Weight348.96 g/mol
Exact Mass346.89
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C9H6BrCl2F2NO2/c10-5-1-4(12)2-6(15-7(16)3-11)8(5)17-9(13)14/h1-2,9H,3H2,(H,15,16)
InChIKeyUEFVVJKTRVIYJF-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.96
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 60866382
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
CID 60847638
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
N-[5-bromo-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 166431693

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide (CID 43698111) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide is O=C(CCl)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide?
The InChIKey is UEFVVJKTRVIYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2F2NO2/c10-5-1-4(12)2-6(15-7(16)3-11)8(5)17-9(13)14/h1-2,9H,3H2,(H,15,16).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide has a molecular weight of 348.96 g/mol, XLogP of 3.88, 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]-2-chloroacetamide is sourced from PubChem (CID 43698111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).