3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide

C26H23N3O4 — CID 11430620

IUPAC3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCOc1cc2c(cc1-c1ccc(C(C)=O)cc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C
InChIInChI=1S/C26H23N3O4/c1-15(30)16-7-9-17(10-8-16)20-12-21-22(13-23(20)33-3)29(2)24(31)14-28-25(21)18-5-4-6-19(11-18)26(27)32/h4-13H,14H2,1-3H3,(H2,27,32)
InChIKeySJHAAYJABXXIJN-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.48
Rot. Bonds5

About 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide

3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide (PubChem CID 11430620) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide.

Molecular Properties

Compound Name3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
PubChem CID11430620
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCOc1cc2c(cc1-c1ccc(C(C)=O)cc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C
InChIInChI=1S/C26H23N3O4/c1-15(30)16-7-9-17(10-8-16)20-12-21-22(13-23(20)33-3)29(2)24(31)14-28-25(21)18-5-4-6-19(11-18)26(27)32/h4-13H,14H2,1-3H3,(H2,27,32)
InChIKeySJHAAYJABXXIJN-UHFFFAOYSA-N
XLogP3.48
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The IUPAC name of 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide (CID 11430620) is 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide.
What is the SMILES notation for 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The canonical SMILES for 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide is COc1cc2c(cc1-c1ccc(C(C)=O)cc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C.
What is the InChIKey of 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The InChIKey is SJHAAYJABXXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-15(30)16-7-9-17(10-8-16)20-12-21-22(13-23(20)33-3)29(2)24(31)14-28-25(21)18-5-4-6-19(11-18)26(27)32/h4-13H,14H2,1-3H3,(H2,27,32).
What are the key properties of 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide is sourced from PubChem (CID 11430620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).