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

C17H19N3O — CID 63101425

IUPAC3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
SMILESNC(=O)c1cccc(CN2CCNCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c18-17(21)14-6-3-4-13(10-14)12-20-9-8-19-11-15-5-1-2-7-16(15)20/h1-7,10,19H,8-9,11-12H2,(H2,18,21)
InChIKeyBBRWVUJWSWYSCQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.90
Rot. Bonds3

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

3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide (PubChem CID 63101425) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
PubChem CID63101425
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
SMILESNC(=O)c1cccc(CN2CCNCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c18-17(21)14-6-3-4-13(10-14)12-20-9-8-19-11-15-5-1-2-7-16(15)20/h1-7,10,19H,8-9,11-12H2,(H2,18,21)
InChIKeyBBRWVUJWSWYSCQ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide?
The IUPAC name of 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide (CID 63101425) is 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide?
The canonical SMILES for 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide is NC(=O)c1cccc(CN2CCNCc3ccccc32)c1.
What is the InChIKey of 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide?
The InChIKey is BBRWVUJWSWYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-17(21)14-6-3-4-13(10-14)12-20-9-8-19-11-15-5-1-2-7-16(15)20/h1-7,10,19H,8-9,11-12H2,(H2,18,21).
What are the key properties of 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide?
3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide is sourced from PubChem (CID 63101425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).