[3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate

C19H15NO5 — CID 902569

IUPAC[3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate
SMILESCOc1ccc(C(=O)Nc2cccc(OC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C19H15NO5/c1-23-15-9-7-13(8-10-15)18(21)20-14-4-2-5-16(12-14)25-19(22)17-6-3-11-24-17/h2-12H,1H3,(H,20,21)
InChIKeyRSOPZEMSPQNKTO-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.76
Rot. Bonds5

About [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate

[3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate (PubChem CID 902569) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate
PubChem CID902569
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate
SMILESCOc1ccc(C(=O)Nc2cccc(OC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C19H15NO5/c1-23-15-9-7-13(8-10-15)18(21)20-14-4-2-5-16(12-14)25-19(22)17-6-3-11-24-17/h2-12H,1H3,(H,20,21)
InChIKeyRSOPZEMSPQNKTO-UHFFFAOYSA-N
XLogP3.76
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate?
The IUPAC name of [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate (CID 902569) is [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate.
What is the SMILES notation for [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate?
The canonical SMILES for [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate is COc1ccc(C(=O)Nc2cccc(OC(=O)c3ccco3)c2)cc1.
What is the InChIKey of [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate?
The InChIKey is RSOPZEMSPQNKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-23-15-9-7-13(8-10-15)18(21)20-14-4-2-5-16(12-14)25-19(22)17-6-3-11-24-17/h2-12H,1H3,(H,20,21).
What are the key properties of [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate?
[3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxybenzoyl)amino]phenyl] furan-2-carboxylate is sourced from PubChem (CID 902569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).