5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide

C13H8BrF3N2O3 — CID 108933256

IUPAC5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrF3N2O3/c14-10-5-4-9(22-10)11(20)18-7-2-1-3-8(6-7)19-12(21)13(15,16)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyWSZWGCDXAQWWPY-UHFFFAOYSA-N
MW377.12 g/mol
LogP3.80
Rot. Bonds3

About 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 108933256) has the molecular formula C13H8BrF3N2O3 and a molecular weight of 377.12 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID108933256
Molecular FormulaC13H8BrF3N2O3
Molecular Weight377.12 g/mol
Exact Mass375.97
IUPAC Name5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrF3N2O3/c14-10-5-4-9(22-10)11(20)18-7-2-1-3-8(6-7)19-12(21)13(15,16)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyWSZWGCDXAQWWPY-UHFFFAOYSA-N
XLogP3.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
CID 17204534
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
5-bromo-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55851418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide (CID 108933256) is 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is WSZWGCDXAQWWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O3/c14-10-5-4-9(22-10)11(20)18-7-2-1-3-8(6-7)19-12(21)13(15,16)17/h1-6H,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 377.12 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 108933256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).