N-(1-benzamidoanthracen-2-yl)benzamide

C28H20N2O2 — CID 87154988

IUPACN-(1-benzamidoanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2cc3ccccc3cc2c1NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2O2/c31-27(19-9-3-1-4-10-19)29-25-16-15-23-17-21-13-7-8-14-22(21)18-24(23)26(25)30-28(32)20-11-5-2-6-12-20/h1-18H,(H,29,31)(H,30,32)
InChIKeyXUYAOEIDFLJPFD-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.50
Rot. Bonds4

About N-(1-benzamidoanthracen-2-yl)benzamide

N-(1-benzamidoanthracen-2-yl)benzamide (PubChem CID 87154988) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1-benzamidoanthracen-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzamidoanthracen-2-yl)benzamide
PubChem CID87154988
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC NameN-(1-benzamidoanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2cc3ccccc3cc2c1NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2O2/c31-27(19-9-3-1-4-10-19)29-25-16-15-23-17-21-13-7-8-14-22(21)18-24(23)26(25)30-28(32)20-11-5-2-6-12-20/h1-18H,(H,29,31)(H,30,32)
InChIKeyXUYAOEIDFLJPFD-UHFFFAOYSA-N
XLogP6.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzamidoanthracen-2-yl)benzamide?
The IUPAC name of N-(1-benzamidoanthracen-2-yl)benzamide (CID 87154988) is N-(1-benzamidoanthracen-2-yl)benzamide.
What is the SMILES notation for N-(1-benzamidoanthracen-2-yl)benzamide?
The canonical SMILES for N-(1-benzamidoanthracen-2-yl)benzamide is O=C(Nc1ccc2cc3ccccc3cc2c1NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-benzamidoanthracen-2-yl)benzamide?
The InChIKey is XUYAOEIDFLJPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2/c31-27(19-9-3-1-4-10-19)29-25-16-15-23-17-21-13-7-8-14-22(21)18-24(23)26(25)30-28(32)20-11-5-2-6-12-20/h1-18H,(H,29,31)(H,30,32).
What are the key properties of N-(1-benzamidoanthracen-2-yl)benzamide?
N-(1-benzamidoanthracen-2-yl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzamidoanthracen-2-yl)benzamide is sourced from PubChem (CID 87154988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).