2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid

C13H8F3NO4 — CID 79530106

IUPAC2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
SMILESO=C(Nc1cc(C(F)(F)F)ccc1C(=O)O)c1ccco1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)7-3-4-8(12(19)20)9(6-7)17-11(18)10-2-1-5-21-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyFHHRLBTVEUDYDS-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.25
Rot. Bonds3

About 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid

2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid (PubChem CID 79530106) has the molecular formula C13H8F3NO4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
PubChem CID79530106
Molecular FormulaC13H8F3NO4
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
SMILESO=C(Nc1cc(C(F)(F)F)ccc1C(=O)O)c1ccco1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)7-3-4-8(12(19)20)9(6-7)17-11(18)10-2-1-5-21-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyFHHRLBTVEUDYDS-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

N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 132814466
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)benzoic acid
CID 79532501
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032652
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
CID 10267859
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid (CID 79530106) is 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid is O=C(Nc1cc(C(F)(F)F)ccc1C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid?
The InChIKey is FHHRLBTVEUDYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4/c14-13(15,16)7-3-4-8(12(19)20)9(6-7)17-11(18)10-2-1-5-21-10/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid?
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic 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 2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 79530106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).