N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide

C12H6BrClF3NO2 — CID 103708558

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H6BrClF3NO2/c13-7-3-6(12(15,16)17)4-8(5-7)18-11(19)9-1-2-10(14)20-9/h1-5H,(H,18,19)
InChIKeyOGRQHOCLUIBHMD-UHFFFAOYSA-N
MW368.54 g/mol
LogP4.97
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide (PubChem CID 103708558) has the molecular formula C12H6BrClF3NO2 and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
PubChem CID103708558
Molecular FormulaC12H6BrClF3NO2
Molecular Weight368.54 g/mol
Exact Mass366.92
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H6BrClF3NO2/c13-7-3-6(12(15,16)17)4-8(5-7)18-11(19)9-1-2-10(14)20-9/h1-5H,(H,18,19)
InChIKeyOGRQHOCLUIBHMD-UHFFFAOYSA-N
XLogP4.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
N-(4-bromo-2,6-difluorophenyl)-5-chlorofuran-2-carboxamide
CID 65498748
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
CID 107336561
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide
CID 87031550
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide (CID 103708558) is N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide is O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide?
The InChIKey is OGRQHOCLUIBHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO2/c13-7-3-6(12(15,16)17)4-8(5-7)18-11(19)9-1-2-10(14)20-9/h1-5H,(H,18,19).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide has a molecular weight of 368.54 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 103708558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).