3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide

C14H10N2O2 — CID 21226293

IUPAC3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide
SMILESNC(=O)c1cccc(C(=O)N2C3=CC=CC2=C3)c1
InChIInChI=1S/C14H10N2O2/c15-13(17)9-3-1-4-10(7-9)14(18)16-11-5-2-6-12(16)8-11/h1-8H,(H2,15,17)
InChIKeyYCGKJPVUGMBDDS-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.58
Rot. Bonds2

About 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide

3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide (PubChem CID 21226293) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide.

Molecular Properties

Compound Name3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide
PubChem CID21226293
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide
SMILESNC(=O)c1cccc(C(=O)N2C3=CC=CC2=C3)c1
InChIInChI=1S/C14H10N2O2/c15-13(17)9-3-1-4-10(7-9)14(18)16-11-5-2-6-12(16)8-11/h1-8H,(H2,15,17)
InChIKeyYCGKJPVUGMBDDS-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide?
The IUPAC name of 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide (CID 21226293) is 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide.
What is the SMILES notation for 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide?
The canonical SMILES for 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide is NC(=O)c1cccc(C(=O)N2C3=CC=CC2=C3)c1.
What is the InChIKey of 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide?
The InChIKey is YCGKJPVUGMBDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-13(17)9-3-1-4-10(7-9)14(18)16-11-5-2-6-12(16)8-11/h1-8H,(H2,15,17).
What are the key properties of 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide?
3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azabicyclo[3.1.1]hepta-1(7),2,4-triene-6-carbonyl)benzamide is sourced from PubChem (CID 21226293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).