N-(2-adamantyl)-4-formamidobenzamide

C18H22N2O2 — CID 168651287

IUPACN-(2-adamantyl)-4-formamidobenzamide
SMILESO=CNc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H22N2O2/c21-10-19-16-3-1-13(2-4-16)18(22)20-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2,(H,19,21)(H,20,22)
InChIKeyWSSFQMGYJICHQN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds4

About N-(2-adamantyl)-4-formamidobenzamide

N-(2-adamantyl)-4-formamidobenzamide (PubChem CID 168651287) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-adamantyl)-4-formamidobenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-formamidobenzamide
PubChem CID168651287
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-adamantyl)-4-formamidobenzamide
SMILESO=CNc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H22N2O2/c21-10-19-16-3-1-13(2-4-16)18(22)20-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2,(H,19,21)(H,20,22)
InChIKeyWSSFQMGYJICHQN-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-formamidobenzamide?
The IUPAC name of N-(2-adamantyl)-4-formamidobenzamide (CID 168651287) is N-(2-adamantyl)-4-formamidobenzamide.
What is the SMILES notation for N-(2-adamantyl)-4-formamidobenzamide?
The canonical SMILES for N-(2-adamantyl)-4-formamidobenzamide is O=CNc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(2-adamantyl)-4-formamidobenzamide?
The InChIKey is WSSFQMGYJICHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-10-19-16-3-1-13(2-4-16)18(22)20-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-adamantyl)-4-formamidobenzamide?
N-(2-adamantyl)-4-formamidobenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-formamidobenzamide is sourced from PubChem (CID 168651287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).