N-(1,10-phenanthrolin-5-yl)acetamide

C14H11N3O — CID 18719622

IUPACN-(1,10-phenanthrolin-5-yl)acetamide
SMILESCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)
InChIKeyAAJXINSCZMZERD-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.74
Rot. Bonds1

About N-(1,10-phenanthrolin-5-yl)acetamide

N-(1,10-phenanthrolin-5-yl)acetamide (PubChem CID 18719622) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(1,10-phenanthrolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,10-phenanthrolin-5-yl)acetamide
PubChem CID18719622
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC NameN-(1,10-phenanthrolin-5-yl)acetamide
SMILESCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)
InChIKeyAAJXINSCZMZERD-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,10-phenanthrolin-5-yl)acetamide?
The IUPAC name of N-(1,10-phenanthrolin-5-yl)acetamide (CID 18719622) is N-(1,10-phenanthrolin-5-yl)acetamide.
What is the SMILES notation for N-(1,10-phenanthrolin-5-yl)acetamide?
The canonical SMILES for N-(1,10-phenanthrolin-5-yl)acetamide is CC(=O)Nc1cc2cccnc2c2ncccc12.
What is the InChIKey of N-(1,10-phenanthrolin-5-yl)acetamide?
The InChIKey is AAJXINSCZMZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18).
What are the key properties of N-(1,10-phenanthrolin-5-yl)acetamide?
N-(1,10-phenanthrolin-5-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,10-phenanthrolin-5-yl)acetamide is sourced from PubChem (CID 18719622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).