2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide

C28H24N2O3 — CID 11476070

IUPAC2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCc3occc32)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C28H24N2O3/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31)
InChIKeyDZGOBTYEFOVIMZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.18
Rot. Bonds4

About 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide

2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide (PubChem CID 11476070) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide
PubChem CID11476070
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCc3occc32)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C28H24N2O3/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31)
InChIKeyDZGOBTYEFOVIMZ-UHFFFAOYSA-N
XLogP6.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide (CID 11476070) is 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCCc3occc32)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide?
The InChIKey is DZGOBTYEFOVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31).
What are the key properties of 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide?
2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 11476070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).