5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide

C20H14N2O3 — CID 167877748

IUPAC5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide
SMILESNC(=O)c1coc(C(=O)N2c3ccccc3C=Cc3ccccc32)c1
InChIInChI=1S/C20H14N2O3/c21-19(23)15-11-18(25-12-15)20(24)22-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)22/h1-12H,(H2,21,23)
InChIKeyJLMBFYJQOJZLSZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.84
Rot. Bonds2

About 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide

5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide (PubChem CID 167877748) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide
PubChem CID167877748
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide
SMILESNC(=O)c1coc(C(=O)N2c3ccccc3C=Cc3ccccc32)c1
InChIInChI=1S/C20H14N2O3/c21-19(23)15-11-18(25-12-15)20(24)22-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)22/h1-12H,(H2,21,23)
InChIKeyJLMBFYJQOJZLSZ-UHFFFAOYSA-N
XLogP3.84
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide?
The IUPAC name of 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide (CID 167877748) is 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide.
What is the SMILES notation for 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide?
The canonical SMILES for 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide is NC(=O)c1coc(C(=O)N2c3ccccc3C=Cc3ccccc32)c1.
What is the InChIKey of 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide?
The InChIKey is JLMBFYJQOJZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c21-19(23)15-11-18(25-12-15)20(24)22-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)22/h1-12H,(H2,21,23).
What are the key properties of 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide?
5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide is sourced from PubChem (CID 167877748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).