N-methylanthracene-9-carboxamide

C16H13NO — CID 15678323

IUPACN-methylanthracene-9-carboxamide
SMILESCNC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H13NO/c1-17-16(18)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3,(H,17,18)
InChIKeyQBEPALPEGNAFKE-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.35
Rot. Bonds1

About N-methylanthracene-9-carboxamide

N-methylanthracene-9-carboxamide (PubChem CID 15678323) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methylanthracene-9-carboxamide.

Molecular Properties

Compound NameN-methylanthracene-9-carboxamide
PubChem CID15678323
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC NameN-methylanthracene-9-carboxamide
SMILESCNC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H13NO/c1-17-16(18)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3,(H,17,18)
InChIKeyQBEPALPEGNAFKE-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylanthracene-9-carboxamide?
The IUPAC name of N-methylanthracene-9-carboxamide (CID 15678323) is N-methylanthracene-9-carboxamide.
What is the SMILES notation for N-methylanthracene-9-carboxamide?
The canonical SMILES for N-methylanthracene-9-carboxamide is CNC(=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-methylanthracene-9-carboxamide?
The InChIKey is QBEPALPEGNAFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-16(18)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3,(H,17,18).
What are the key properties of N-methylanthracene-9-carboxamide?
N-methylanthracene-9-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylanthracene-9-carboxamide is sourced from PubChem (CID 15678323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).