4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid

C19H15NO4 — CID 603778

IUPAC4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H15NO4/c1-12-11-16(17(24-12)13-5-3-2-4-6-13)18(21)20-15-9-7-14(8-10-15)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyCEOBYFAOCVAIMT-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.21
Rot. Bonds4

About 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid

4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid (PubChem CID 603778) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid
PubChem CID603778
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H15NO4/c1-12-11-16(17(24-12)13-5-3-2-4-6-13)18(21)20-15-9-7-14(8-10-15)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyCEOBYFAOCVAIMT-UHFFFAOYSA-N
XLogP4.21
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid (CID 603778) is 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)o1.
What is the InChIKey of 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid?
The InChIKey is CEOBYFAOCVAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-11-16(17(24-12)13-5-3-2-4-6-13)18(21)20-15-9-7-14(8-10-15)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid?
4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid has a molecular weight of 321.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 603778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).