N-phenanthren-2-ylacetamide

C16H13NO — CID 20072

IUPACN-phenanthren-2-ylacetamide
SMILESCC(=O)Nc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C16H13NO/c1-11(18)17-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3,(H,17,18)
InChIKeyNOEOUKDLTDMGKA-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.95
Rot. Bonds1

About N-phenanthren-2-ylacetamide

N-phenanthren-2-ylacetamide (PubChem CID 20072) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is N-phenanthren-2-ylacetamide.

Molecular Properties

Compound NameN-phenanthren-2-ylacetamide
PubChem CID20072
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC NameN-phenanthren-2-ylacetamide
SMILESCC(=O)Nc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C16H13NO/c1-11(18)17-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3,(H,17,18)
InChIKeyNOEOUKDLTDMGKA-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenanthren-2-ylacetamide?
The IUPAC name of N-phenanthren-2-ylacetamide (CID 20072) is N-phenanthren-2-ylacetamide.
What is the SMILES notation for N-phenanthren-2-ylacetamide?
The canonical SMILES for N-phenanthren-2-ylacetamide is CC(=O)Nc1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of N-phenanthren-2-ylacetamide?
The InChIKey is NOEOUKDLTDMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(18)17-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3,(H,17,18).
What are the key properties of N-phenanthren-2-ylacetamide?
N-phenanthren-2-ylacetamide has a molecular weight of 235.29 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-ylacetamide is sourced from PubChem (CID 20072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).