N-(1,3-dioxo-7-phenylinden-4-yl)benzamide

C22H15NO3 — CID 161402375

IUPACN-(1,3-dioxo-7-phenylinden-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)c2c1C(=O)CC2=O)c1ccccc1
InChIInChI=1S/C22H15NO3/c24-18-13-19(25)21-17(23-22(26)15-9-5-2-6-10-15)12-11-16(20(18)21)14-7-3-1-4-8-14/h1-12H,13H2,(H,23,26)
InChIKeyCPURGDIIIXXGQL-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.38
Rot. Bonds3

About N-(1,3-dioxo-7-phenylinden-4-yl)benzamide

N-(1,3-dioxo-7-phenylinden-4-yl)benzamide (PubChem CID 161402375) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-dioxo-7-phenylinden-4-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-dioxo-7-phenylinden-4-yl)benzamide
PubChem CID161402375
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC NameN-(1,3-dioxo-7-phenylinden-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)c2c1C(=O)CC2=O)c1ccccc1
InChIInChI=1S/C22H15NO3/c24-18-13-19(25)21-17(23-22(26)15-9-5-2-6-10-15)12-11-16(20(18)21)14-7-3-1-4-8-14/h1-12H,13H2,(H,23,26)
InChIKeyCPURGDIIIXXGQL-UHFFFAOYSA-N
XLogP4.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749364
N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749354
N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749342
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 162075474
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 149052583

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-7-phenylinden-4-yl)benzamide?
The IUPAC name of N-(1,3-dioxo-7-phenylinden-4-yl)benzamide (CID 161402375) is N-(1,3-dioxo-7-phenylinden-4-yl)benzamide.
What is the SMILES notation for N-(1,3-dioxo-7-phenylinden-4-yl)benzamide?
The canonical SMILES for N-(1,3-dioxo-7-phenylinden-4-yl)benzamide is O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)CC2=O)c1ccccc1.
What is the InChIKey of N-(1,3-dioxo-7-phenylinden-4-yl)benzamide?
The InChIKey is CPURGDIIIXXGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-18-13-19(25)21-17(23-22(26)15-9-5-2-6-10-15)12-11-16(20(18)21)14-7-3-1-4-8-14/h1-12H,13H2,(H,23,26).
What are the key properties of N-(1,3-dioxo-7-phenylinden-4-yl)benzamide?
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-7-phenylinden-4-yl)benzamide is sourced from PubChem (CID 161402375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).