2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide

C20H15N3O2 — CID 45268686

IUPAC2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide
SMILESNC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O
InChIInChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25)
InChIKeyXLSKYJYTEGNOBA-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.76
Rot. Bonds2

About 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide

2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide (PubChem CID 45268686) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide.

Molecular Properties

Compound Name2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide
PubChem CID45268686
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide
SMILESNC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O
InChIInChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25)
InChIKeyXLSKYJYTEGNOBA-UHFFFAOYSA-N
XLogP3.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide?
The IUPAC name of 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide (CID 45268686) is 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide.
What is the SMILES notation for 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide?
The canonical SMILES for 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide is NC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O.
What is the InChIKey of 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide?
The InChIKey is XLSKYJYTEGNOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25).
What are the key properties of 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide?
2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzamide is sourced from PubChem (CID 45268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).