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

C16H17N3O — CID 63101108

IUPAC2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
SMILESNC(=O)c1ccccc1N1CCNCc2ccccc21
InChIInChI=1S/C16H17N3O/c17-16(20)13-6-2-4-8-15(13)19-10-9-18-11-12-5-1-3-7-14(12)19/h1-8,18H,9-11H2,(H2,17,20)
InChIKeyYPKGYSOPXJTRQL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.03
Rot. Bonds2

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

2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide (PubChem CID 63101108) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
PubChem CID63101108
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
SMILESNC(=O)c1ccccc1N1CCNCc2ccccc21
InChIInChI=1S/C16H17N3O/c17-16(20)13-6-2-4-8-15(13)19-10-9-18-11-12-5-1-3-7-14(12)19/h1-8,18H,9-11H2,(H2,17,20)
InChIKeyYPKGYSOPXJTRQL-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

4-chloro-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63101672
2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63100621
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzenesulfonamide
CID 63100541
2-(2-methylpiperazin-1-yl)benzamide
CID 22411270
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101431
2-(diazepan-1-yl)benzamide
CID 141091180
3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
CID 63101425
1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101354
2-[(1R,2R)-2-aminocyclohexyl]-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 167990196
1-(5-fluoropyrimidin-2-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 104606317
benzene-1,2-dicarboxamide;piperazine
CID 159137360
N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 55177662

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
The IUPAC name of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide (CID 63101108) is 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide.
What is the SMILES notation for 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
The canonical SMILES for 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide is NC(=O)c1ccccc1N1CCNCc2ccccc21.
What is the InChIKey of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
The InChIKey is YPKGYSOPXJTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-16(20)13-6-2-4-8-15(13)19-10-9-18-11-12-5-1-3-7-14(12)19/h1-8,18H,9-11H2,(H2,17,20).
What are the key properties of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide is sourced from PubChem (CID 63101108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).