4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid

C19H15NO5 — CID 7680503

IUPAC4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C19H15NO5/c21-18(20-14-8-6-13(7-9-14)19(22)23)17-11-10-16(25-17)12-24-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyNXNRWOKJAWLVGJ-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.81
Rot. Bonds6

About 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid

4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid (PubChem CID 7680503) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid
PubChem CID7680503
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C19H15NO5/c21-18(20-14-8-6-13(7-9-14)19(22)23)17-11-10-16(25-17)12-24-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyNXNRWOKJAWLVGJ-UHFFFAOYSA-N
XLogP3.81
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid (CID 7680503) is 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid?
The InChIKey is NXNRWOKJAWLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-18(20-14-8-6-13(7-9-14)19(22)23)17-11-10-16(25-17)12-24-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid?
4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid has a molecular weight of 337.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(phenoxymethyl)furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 7680503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).