2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide

C17H17N3O2 — CID 162787462

IUPAC2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide
SMILESO=C(CC1CNc2ccccc2NC1=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(19-13-6-2-1-3-7-13)10-12-11-18-14-8-4-5-9-15(14)20-17(12)22/h1-9,12,18H,10-11H2,(H,19,21)(H,20,22)
InChIKeyBBPBTXGRNUIGET-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.70
Rot. Bonds3

About 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide

2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide (PubChem CID 162787462) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide
PubChem CID162787462
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide
SMILESO=C(CC1CNc2ccccc2NC1=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(19-13-6-2-1-3-7-13)10-12-11-18-14-8-4-5-9-15(14)20-17(12)22/h1-9,12,18H,10-11H2,(H,19,21)(H,20,22)
InChIKeyBBPBTXGRNUIGET-UHFFFAOYSA-N
XLogP2.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide 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

2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 162787464
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 80572001
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 80572158
2-(4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25105335
N-(3-methoxyphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetamide
CID 50806716
2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide
CID 135638166
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-phenylacetamide
CID 42234679
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 107583431
N-(3-methylsulfanylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
CID 50833895

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide (CID 162787462) is 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide is O=C(CC1CNc2ccccc2NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide?
The InChIKey is BBPBTXGRNUIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(19-13-6-2-1-3-7-13)10-12-11-18-14-8-4-5-9-15(14)20-17(12)22/h1-9,12,18H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide?
2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide has a molecular weight of 295.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 162787462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).