N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide

C12H6BrClF3NO2 — CID 106685898

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccoc1Cl
InChIInChI=1S/C12H6BrClF3NO2/c13-9-2-1-6(5-8(9)12(15,16)17)18-11(19)7-3-4-20-10(7)14/h1-5H,(H,18,19)
InChIKeyXQIDXMBKXWGEAF-UHFFFAOYSA-N
MW368.54 g/mol
LogP4.97
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide (PubChem CID 106685898) has the molecular formula C12H6BrClF3NO2 and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
PubChem CID106685898
Molecular FormulaC12H6BrClF3NO2
Molecular Weight368.54 g/mol
Exact Mass366.92
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccoc1Cl
InChIInChI=1S/C12H6BrClF3NO2/c13-9-2-1-6(5-8(9)12(15,16)17)18-11(19)7-3-4-20-10(7)14/h1-5H,(H,18,19)
InChIKeyXQIDXMBKXWGEAF-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-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106683164
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 64854382
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide (CID 106685898) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccoc1Cl.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
The InChIKey is XQIDXMBKXWGEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO2/c13-9-2-1-6(5-8(9)12(15,16)17)18-11(19)7-3-4-20-10(7)14/h1-5H,(H,18,19).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-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-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106685898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).