2-amino-4,5-diphenylfuran-3-carboxylic acid

C17H13NO3 — CID 83447746

IUPAC2-amino-4,5-diphenylfuran-3-carboxylic acid
SMILESNc1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H13NO3/c18-16-14(17(19)20)13(11-7-3-1-4-8-11)15(21-16)12-9-5-2-6-10-12/h1-10H,18H2,(H,19,20)
InChIKeyDOJGQGXDZYHRKD-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.89
Rot. Bonds3

About 2-amino-4,5-diphenylfuran-3-carboxylic acid

2-amino-4,5-diphenylfuran-3-carboxylic acid (PubChem CID 83447746) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-4,5-diphenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,5-diphenylfuran-3-carboxylic acid
PubChem CID83447746
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-amino-4,5-diphenylfuran-3-carboxylic acid
SMILESNc1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H13NO3/c18-16-14(17(19)20)13(11-7-3-1-4-8-11)15(21-16)12-9-5-2-6-10-12/h1-10H,18H2,(H,19,20)
InChIKeyDOJGQGXDZYHRKD-UHFFFAOYSA-N
XLogP3.89
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-amino-5-hydroxy-benzofuran-3-carboxylate
CID 50898611
[2-Amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone
CID 2434409
Ethyl 2-amino-5-hydroxy-benzofuran-3-carboxylate
CID 50898610
Ethyl 2-amino-5,7-dimethylbenzofuran-3-carboxylate
CID 72942160
2-Aminobenzofuran-3-carboxylic acid
CID 83449008
[2-Amino-5-(trifluoromethyl)furan-3-yl]-phenylmethanone
CID 83448930
[2-Amino-5-(trifluoromethyl)furan-3-yl]-(4-fluorophenyl)methanone
CID 83448939
[2-Amino-5-(trifluoromethyl)furan-3-yl]-(4-methylphenyl)methanone
CID 164901094
[2-Amino-5-(trifluoromethyl)furan-3-yl]-(4-phenylphenyl)methanone
CID 164901107
Ethyl 2-amino-4,5-diphenylfuran-3-carboxylate
CID 4738025
Dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate
CID 15506553
1-(2-Amino-1-benzofuran-3-yl)-2-(2-hydroxyphenyl)ethanone
CID 21577095

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-diphenylfuran-3-carboxylic acid?
The IUPAC name of 2-amino-4,5-diphenylfuran-3-carboxylic acid (CID 83447746) is 2-amino-4,5-diphenylfuran-3-carboxylic acid.
What is the SMILES notation for 2-amino-4,5-diphenylfuran-3-carboxylic acid?
The canonical SMILES for 2-amino-4,5-diphenylfuran-3-carboxylic acid is Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-amino-4,5-diphenylfuran-3-carboxylic acid?
The InChIKey is DOJGQGXDZYHRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c18-16-14(17(19)20)13(11-7-3-1-4-8-11)15(21-16)12-9-5-2-6-10-12/h1-10H,18H2,(H,19,20).
What are the key properties of 2-amino-4,5-diphenylfuran-3-carboxylic acid?
2-amino-4,5-diphenylfuran-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-diphenylfuran-3-carboxylic acid is sourced from PubChem (CID 83447746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).