N-(1-formamidoanthracen-2-yl)formamide

C16H12N2O2 — CID 87159061

IUPACN-(1-formamidoanthracen-2-yl)formamide
SMILESO=CNc1ccc2cc3ccccc3cc2c1NC=O
InChIInChI=1S/C16H12N2O2/c19-9-17-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)16(15)18-10-20/h1-10H,(H,17,19)(H,18,20)
InChIKeyCIVSNKBZWZFKIB-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.13
Rot. Bonds4

About N-(1-formamidoanthracen-2-yl)formamide

N-(1-formamidoanthracen-2-yl)formamide (PubChem CID 87159061) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(1-formamidoanthracen-2-yl)formamide.

Molecular Properties

Compound NameN-(1-formamidoanthracen-2-yl)formamide
PubChem CID87159061
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC NameN-(1-formamidoanthracen-2-yl)formamide
SMILESO=CNc1ccc2cc3ccccc3cc2c1NC=O
InChIInChI=1S/C16H12N2O2/c19-9-17-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)16(15)18-10-20/h1-10H,(H,17,19)(H,18,20)
InChIKeyCIVSNKBZWZFKIB-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(1-formamidoanthracen-2-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-formamidoanthracen-2-yl)formamide?
The IUPAC name of N-(1-formamidoanthracen-2-yl)formamide (CID 87159061) is N-(1-formamidoanthracen-2-yl)formamide.
What is the SMILES notation for N-(1-formamidoanthracen-2-yl)formamide?
The canonical SMILES for N-(1-formamidoanthracen-2-yl)formamide is O=CNc1ccc2cc3ccccc3cc2c1NC=O.
What is the InChIKey of N-(1-formamidoanthracen-2-yl)formamide?
The InChIKey is CIVSNKBZWZFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-9-17-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)16(15)18-10-20/h1-10H,(H,17,19)(H,18,20).
What are the key properties of N-(1-formamidoanthracen-2-yl)formamide?
N-(1-formamidoanthracen-2-yl)formamide has a molecular weight of 264.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formamidoanthracen-2-yl)formamide is sourced from PubChem (CID 87159061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).