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

C24H21N3O3 — CID 11418136

IUPAC3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCOc1cc2c(cc1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C
InChIInChI=1S/C24H21N3O3/c1-27-20-13-21(30-2)18(15-7-4-3-5-8-15)12-19(20)23(26-14-22(27)28)16-9-6-10-17(11-16)24(25)29/h3-13H,14H2,1-2H3,(H2,25,29)
InChIKeyWYTGWTBNDXWMMB-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.27
Rot. Bonds4

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

3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide (PubChem CID 11418136) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide.

Molecular Properties

Compound Name3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide
PubChem CID11418136
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCOc1cc2c(cc1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C
InChIInChI=1S/C24H21N3O3/c1-27-20-13-21(30-2)18(15-7-4-3-5-8-15)12-19(20)23(26-14-22(27)28)16-9-6-10-17(11-16)24(25)29/h3-13H,14H2,1-2H3,(H2,25,29)
InChIKeyWYTGWTBNDXWMMB-UHFFFAOYSA-N
XLogP3.27
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide?
The IUPAC name of 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide (CID 11418136) is 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide.
What is the SMILES notation for 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide?
The canonical SMILES for 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide is COc1cc2c(cc1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C.
What is the InChIKey of 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide?
The InChIKey is WYTGWTBNDXWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-27-20-13-21(30-2)18(15-7-4-3-5-8-15)12-19(20)23(26-14-22(27)28)16-9-6-10-17(11-16)24(25)29/h3-13H,14H2,1-2H3,(H2,25,29).
What are the key properties of 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide?
3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide is sourced from PubChem (CID 11418136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).