N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide

C24H17NO5 — CID 11133104

IUPACN-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(C(=O)c1ccc(Oc3ccccc3)cc1)C2=O
InChIInChI=1S/C24H17NO5/c1-14(26)25-19-9-5-8-18-20(19)24(29)21(23(18)28)22(27)15-10-12-17(13-11-15)30-16-6-3-2-4-7-16/h2-13,21H,1H3,(H,25,26)
InChIKeyNEQUQEDRDGLNNS-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.32
Rot. Bonds5

About N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide

N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide (PubChem CID 11133104) has the molecular formula C24H17NO5 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide.

Molecular Properties

Compound NameN-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide
PubChem CID11133104
Molecular FormulaC24H17NO5
Molecular Weight399.40 g/mol
Exact Mass399.11
IUPAC NameN-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(C(=O)c1ccc(Oc3ccccc3)cc1)C2=O
InChIInChI=1S/C24H17NO5/c1-14(26)25-19-9-5-8-18-20(19)24(29)21(23(18)28)22(27)15-10-12-17(13-11-15)30-16-6-3-2-4-7-16/h2-13,21H,1H3,(H,25,26)
InChIKeyNEQUQEDRDGLNNS-UHFFFAOYSA-N
XLogP4.32
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
CID 98061288
N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide
CID 10969019
2-acetyl-4-(hydroxyamino)indene-1,3-dione
CID 121218470
ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
CID 143160800
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
phenoxybenzene;N-phenylacetamide
CID 174350344
2,2-diamino-1-(4-phenoxyphenyl)butane-1,3-dione
CID 90695986
N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 5028313
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
oxiran-2-yl-(4-phenoxyphenyl)methanone
CID 116826428

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide?
The IUPAC name of N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide (CID 11133104) is N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide.
What is the SMILES notation for N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide?
The canonical SMILES for N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)C(C(=O)c1ccc(Oc3ccccc3)cc1)C2=O.
What is the InChIKey of N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide?
The InChIKey is NEQUQEDRDGLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO5/c1-14(26)25-19-9-5-8-18-20(19)24(29)21(23(18)28)22(27)15-10-12-17(13-11-15)30-16-6-3-2-4-7-16/h2-13,21H,1H3,(H,25,26).
What are the key properties of N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide?
N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide has a molecular weight of 399.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide is sourced from PubChem (CID 11133104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).