2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide

C29H29Cl2N3O4 — CID 18442567

IUPAC2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(Cc1ccc(Cl)c(Cl)c1)N(CC(=O)NC1CCc3ccccc31)CC(=O)N2
InChIInChI=1S/C29H29Cl2N3O4/c1-37-26-13-20-24(14-27(26)38-2)33-29(36)16-34(25(20)12-17-7-9-21(30)22(31)11-17)15-28(35)32-23-10-8-18-5-3-4-6-19(18)23/h3-7,9,11,13-14,23,25H,8,10,12,15-16H2,1-2H3,(H,32,35)(H,33,36)
InChIKeySLOXRTVMSOONNY-UHFFFAOYSA-N
MW554.47 g/mol
LogP5.35
Rot. Bonds7

About 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide

2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 18442567) has the molecular formula C29H29Cl2N3O4 and a molecular weight of 554.47 g/mol. Its IUPAC name is 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID18442567
Molecular FormulaC29H29Cl2N3O4
Molecular Weight554.47 g/mol
Exact Mass553.15
IUPAC Name2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(Cc1ccc(Cl)c(Cl)c1)N(CC(=O)NC1CCc3ccccc31)CC(=O)N2
InChIInChI=1S/C29H29Cl2N3O4/c1-37-26-13-20-24(14-27(26)38-2)33-29(36)16-34(25(20)12-17-7-9-21(30)22(31)11-17)15-28(35)32-23-10-8-18-5-3-4-6-19(18)23/h3-7,9,11,13-14,23,25H,8,10,12,15-16H2,1-2H3,(H,32,35)(H,33,36)
InChIKeySLOXRTVMSOONNY-UHFFFAOYSA-N
XLogP5.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide with MolForge

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 69039913
N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 22742841
2-[7-(2-cyclopropylethoxy)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 142656794
2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742765
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 10864538
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742819
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide
CID 22742622
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 10230290
2-[1-[(3-bromo-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 22742836
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 18442567) is 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide is COc1cc2c(cc1OC)C(Cc1ccc(Cl)c(Cl)c1)N(CC(=O)NC1CCc3ccccc31)CC(=O)N2.
What is the InChIKey of 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is SLOXRTVMSOONNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N3O4/c1-37-26-13-20-24(14-27(26)38-2)33-29(36)16-34(25(20)12-17-7-9-21(30)22(31)11-17)15-28(35)32-23-10-8-18-5-3-4-6-19(18)23/h3-7,9,11,13-14,23,25H,8,10,12,15-16H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 554.47 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 18442567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).