N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide

C24H21NO4 — CID 159920274

IUPACN-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CCC3=O)c(OC)c1
InChIInChI=1S/C24H21NO4/c1-28-16-8-9-18(22(14-16)29-2)17-10-12-20(23-19(17)11-13-21(23)26)25-24(27)15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,25,27)
InChIKeyNYHOSGRHFAUTAI-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.75
Rot. Bonds5

About N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide

N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide (PubChem CID 159920274) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
PubChem CID159920274
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CCC3=O)c(OC)c1
InChIInChI=1S/C24H21NO4/c1-28-16-8-9-18(22(14-16)29-2)17-10-12-20(23-19(17)11-13-21(23)26)25-24(27)15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,25,27)
InChIKeyNYHOSGRHFAUTAI-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-3-methoxybenzamide
CID 158240240
2-methoxy-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 147732049
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 147109047
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 162075474
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706

Frequently Asked Questions

What is the IUPAC name of N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The IUPAC name of N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide (CID 159920274) is N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide.
What is the SMILES notation for N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The canonical SMILES for N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide is COc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CCC3=O)c(OC)c1.
What is the InChIKey of N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The InChIKey is NYHOSGRHFAUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-16-8-9-18(22(14-16)29-2)17-10-12-20(23-19(17)11-13-21(23)26)25-24(27)15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,25,27).
What are the key properties of N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide is sourced from PubChem (CID 159920274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).