5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C12H6BrClF3NO2 — CID 1282971

IUPAC5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)o1
InChIInChI=1S/C12H6BrClF3NO2/c13-10-4-3-9(20-10)11(19)18-6-1-2-8(14)7(5-6)12(15,16)17/h1-5H,(H,18,19)
InChIKeyYFWBKSPGBGDOHH-UHFFFAOYSA-N
MW368.54 g/mol
LogP4.97
Rot. Bonds2

About 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 1282971) has the molecular formula C12H6BrClF3NO2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID1282971
Molecular FormulaC12H6BrClF3NO2
Molecular Weight368.54 g/mol
Exact Mass366.92
IUPAC Name5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)o1
InChIInChI=1S/C12H6BrClF3NO2/c13-10-4-3-9(20-10)11(19)18-6-1-2-8(14)7(5-6)12(15,16)17/h1-5H,(H,18,19)
InChIKeyYFWBKSPGBGDOHH-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

1-(5-bromofuran-2-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 108872890
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 3473060
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 1282971) is 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is YFWBKSPGBGDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO2/c13-10-4-3-9(20-10)11(19)18-6-1-2-8(14)7(5-6)12(15,16)17/h1-5H,(H,18,19).
What are the key properties of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-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 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1282971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).