4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide

C20H15N3O2 — CID 14896600

IUPAC4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-9-6-15(7-10-16)20(24)23-17-11-8-14-5-4-13-3-2-12-21-18(13)19(14)22-17/h2-12H,1H3,(H,22,23,24)
InChIKeyBEJXBXQWIBLCNR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.04
Rot. Bonds3

About 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide

4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide (PubChem CID 14896600) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide
PubChem CID14896600
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-9-6-15(7-10-16)20(24)23-17-11-8-14-5-4-13-3-2-12-21-18(13)19(14)22-17/h2-12H,1H3,(H,22,23,24)
InChIKeyBEJXBXQWIBLCNR-UHFFFAOYSA-N
XLogP4.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide (CID 14896600) is 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide is COc1ccc(C(=O)Nc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide?
The InChIKey is BEJXBXQWIBLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-16-9-6-15(7-10-16)20(24)23-17-11-8-14-5-4-13-3-2-12-21-18(13)19(14)22-17/h2-12H,1H3,(H,22,23,24).
What are the key properties of 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide?
4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide is sourced from PubChem (CID 14896600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).