2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid

C13H8F3NO4 — CID 66269172

IUPAC2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1ccoc1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)8-1-2-10(9(5-8)12(19)20)17-11(18)7-3-4-21-6-7/h1-6H,(H,17,18)(H,19,20)
InChIKeyUYECAKBBKVNWBB-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.25
Rot. Bonds3

About 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid

2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 66269172) has the molecular formula C13H8F3NO4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID66269172
Molecular FormulaC13H8F3NO4
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1ccoc1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)8-1-2-10(9(5-8)12(19)20)17-11(18)7-3-4-21-6-7/h1-6H,(H,17,18)(H,19,20)
InChIKeyUYECAKBBKVNWBB-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

Analyze 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302
4-bromo-2-(furan-3-carbonylamino)benzoic acid
CID 54932571
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22268773
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269359
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
CID 113458385

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid (CID 66269172) is 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid is O=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1ccoc1.
What is the InChIKey of 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is UYECAKBBKVNWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4/c14-13(15,16)8-1-2-10(9(5-8)12(19)20)17-11(18)7-3-4-21-6-7/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
2-(furan-3-carbonylamino)-5-(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-3-carbonylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 66269172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).