3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide

C17H19N3O — CID 115311326

IUPAC3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
SMILESNC(=O)c1cccc(CN2CCCNc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c18-17(21)14-6-3-5-13(11-14)12-20-10-4-9-19-15-7-1-2-8-16(15)20/h1-3,5-8,11,19H,4,9-10,12H2,(H2,18,21)
InChIKeyIFPCJJVDMVNDJE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.61
Rot. Bonds3

About 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide

3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide (PubChem CID 115311326) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
PubChem CID115311326
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
SMILESNC(=O)c1cccc(CN2CCCNc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c18-17(21)14-6-3-5-13(11-14)12-20-10-4-9-19-15-7-1-2-8-16(15)20/h1-3,5-8,11,19H,4,9-10,12H2,(H2,18,21)
InChIKeyIFPCJJVDMVNDJE-UHFFFAOYSA-N
XLogP2.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide?
The IUPAC name of 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide (CID 115311326) is 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide?
The canonical SMILES for 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide is NC(=O)c1cccc(CN2CCCNc3ccccc32)c1.
What is the InChIKey of 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide?
The InChIKey is IFPCJJVDMVNDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-17(21)14-6-3-5-13(11-14)12-20-10-4-9-19-15-7-1-2-8-16(15)20/h1-3,5-8,11,19H,4,9-10,12H2,(H2,18,21).
What are the key properties of 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide?
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide is sourced from PubChem (CID 115311326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).