2-(1,4-benzodiazepin-4-yl)acetamide

C11H11N3O — CID 68673265

IUPAC2-(1,4-benzodiazepin-4-yl)acetamide
SMILESNC(=O)CN1C=CN=c2ccccc2=C1
InChIInChI=1S/C11H11N3O/c12-11(15)8-14-6-5-13-10-4-2-1-3-9(10)7-14/h1-7H,8H2,(H2,12,15)
InChIKeyHBNRHSRUYLJXFO-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.68
Rot. Bonds2

About 2-(1,4-benzodiazepin-4-yl)acetamide

2-(1,4-benzodiazepin-4-yl)acetamide (PubChem CID 68673265) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1,4-benzodiazepin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-benzodiazepin-4-yl)acetamide
PubChem CID68673265
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(1,4-benzodiazepin-4-yl)acetamide
SMILESNC(=O)CN1C=CN=c2ccccc2=C1
InChIInChI=1S/C11H11N3O/c12-11(15)8-14-6-5-13-10-4-2-1-3-9(10)7-14/h1-7H,8H2,(H2,12,15)
InChIKeyHBNRHSRUYLJXFO-UHFFFAOYSA-N
XLogP-0.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-benzodiazepin-4-yl)acetamide?
The IUPAC name of 2-(1,4-benzodiazepin-4-yl)acetamide (CID 68673265) is 2-(1,4-benzodiazepin-4-yl)acetamide.
What is the SMILES notation for 2-(1,4-benzodiazepin-4-yl)acetamide?
The canonical SMILES for 2-(1,4-benzodiazepin-4-yl)acetamide is NC(=O)CN1C=CN=c2ccccc2=C1.
What is the InChIKey of 2-(1,4-benzodiazepin-4-yl)acetamide?
The InChIKey is HBNRHSRUYLJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)8-14-6-5-13-10-4-2-1-3-9(10)7-14/h1-7H,8H2,(H2,12,15).
What are the key properties of 2-(1,4-benzodiazepin-4-yl)acetamide?
2-(1,4-benzodiazepin-4-yl)acetamide has a molecular weight of 201.23 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-benzodiazepin-4-yl)acetamide is sourced from PubChem (CID 68673265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).