5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid

C13H8F3NO4 — CID 104606992

IUPAC5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)8-2-1-3-9(5-8)17-11(18)10-4-7(6-21-10)12(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyIVEUELBUKGEVOG-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.25
Rot. Bonds3

About 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid

5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 104606992) has the molecular formula C13H8F3NO4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID104606992
Molecular FormulaC13H8F3NO4
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)8-2-1-3-9(5-8)17-11(18)10-4-7(6-21-10)12(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyIVEUELBUKGEVOG-UHFFFAOYSA-N
XLogP3.25
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid (CID 104606992) is 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is IVEUELBUKGEVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4/c14-13(15,16)8-2-1-3-9(5-8)17-11(18)10-4-7(6-21-10)12(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid?
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 299.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104606992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).