anthracene-1-carboxamide

C15H11NO — CID 827252

IUPACanthracene-1-carboxamide
SMILESNC(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11NO/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H2,16,17)
InChIKeyUMVFZJRCHRLAGC-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.09
Rot. Bonds1

About anthracene-1-carboxamide

anthracene-1-carboxamide (PubChem CID 827252) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is anthracene-1-carboxamide.

Molecular Properties

Compound Nameanthracene-1-carboxamide
PubChem CID827252
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Nameanthracene-1-carboxamide
SMILESNC(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11NO/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H2,16,17)
InChIKeyUMVFZJRCHRLAGC-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.09
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 anthracene-1-carboxamide?
The IUPAC name of anthracene-1-carboxamide (CID 827252) is anthracene-1-carboxamide.
What is the SMILES notation for anthracene-1-carboxamide?
The canonical SMILES for anthracene-1-carboxamide is NC(=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracene-1-carboxamide?
The InChIKey is UMVFZJRCHRLAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H2,16,17).
What are the key properties of anthracene-1-carboxamide?
anthracene-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1-carboxamide is sourced from PubChem (CID 827252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).