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

C25H23N3O4 — CID 11441786

IUPAC3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCOc1ccc(-c2ccc3c(c2)C(c2cccc(C(N)=O)c2)=NCC(=O)N3C)c(OC)c1
InChIInChI=1S/C25H23N3O4/c1-28-21-10-7-15(19-9-8-18(31-2)13-22(19)32-3)12-20(21)24(27-14-23(28)29)16-5-4-6-17(11-16)25(26)30/h4-13H,14H2,1-3H3,(H2,26,30)
InChIKeyATKKEELSBMWRPV-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.28
Rot. Bonds5

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

3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide (PubChem CID 11441786) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide.

Molecular Properties

Compound Name3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
PubChem CID11441786
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCOc1ccc(-c2ccc3c(c2)C(c2cccc(C(N)=O)c2)=NCC(=O)N3C)c(OC)c1
InChIInChI=1S/C25H23N3O4/c1-28-21-10-7-15(19-9-8-18(31-2)13-22(19)32-3)12-20(21)24(27-14-23(28)29)16-5-4-6-17(11-16)25(26)30/h4-13H,14H2,1-3H3,(H2,26,30)
InChIKeyATKKEELSBMWRPV-UHFFFAOYSA-N
XLogP3.28
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10448865
3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 11430620
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10362432
3-[8-methoxy-7-(4-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile
CID 11246900
N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10072103
5-(2,4-dichlorophenyl)-7-(2,6-dimethoxyphenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69288633
5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69154835
3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile
CID 11246008
3-[7-(3-chlorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile
CID 11281470
7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 157466225
5-(3,5-dichlorophenyl)-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one
CID 11474909

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The IUPAC name of 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide (CID 11441786) is 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide.
What is the SMILES notation for 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The canonical SMILES for 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide is COc1ccc(-c2ccc3c(c2)C(c2cccc(C(N)=O)c2)=NCC(=O)N3C)c(OC)c1.
What is the InChIKey of 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The InChIKey is ATKKEELSBMWRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-28-21-10-7-15(19-9-8-18(31-2)13-22(19)32-3)12-20(21)24(27-14-23(28)29)16-5-4-6-17(11-16)25(26)30/h4-13H,14H2,1-3H3,(H2,26,30).
What are the key properties of 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide is sourced from PubChem (CID 11441786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).