N-(2-anilino-1,3-dioxoinden-2-yl)acetamide

C17H14N2O3 — CID 91678904

IUPACN-(2-anilino-1,3-dioxoinden-2-yl)acetamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O3/c1-11(20)18-17(19-12-7-3-2-4-8-12)15(21)13-9-5-6-10-14(13)16(17)22/h2-10,19H,1H3,(H,18,20)
InChIKeyZLUBJHCQQYFKAG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.01
Rot. Bonds3

About N-(2-anilino-1,3-dioxoinden-2-yl)acetamide

N-(2-anilino-1,3-dioxoinden-2-yl)acetamide (PubChem CID 91678904) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-anilino-1,3-dioxoinden-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-dioxoinden-2-yl)acetamide
PubChem CID91678904
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(2-anilino-1,3-dioxoinden-2-yl)acetamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O3/c1-11(20)18-17(19-12-7-3-2-4-8-12)15(21)13-9-5-6-10-14(13)16(17)22/h2-10,19H,1H3,(H,18,20)
InChIKeyZLUBJHCQQYFKAG-UHFFFAOYSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide
CID 91678899
cobalt;N-phenylacetamide
CID 158689050
N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide
CID 23375056
acetyl bromide;N-phenylacetamide
CID 175285562
N-phenylacetamide;toluene
CID 175205531
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
nitrous acid;N-phenylacetamide
CID 174797407
N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
CID 10662413
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
5,5-dimethylcyclohexane-1,3-dione;N-phenylacetamide
CID 67719434
CID 174682832
CID 174682832

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-dioxoinden-2-yl)acetamide?
The IUPAC name of N-(2-anilino-1,3-dioxoinden-2-yl)acetamide (CID 91678904) is N-(2-anilino-1,3-dioxoinden-2-yl)acetamide.
What is the SMILES notation for N-(2-anilino-1,3-dioxoinden-2-yl)acetamide?
The canonical SMILES for N-(2-anilino-1,3-dioxoinden-2-yl)acetamide is CC(=O)NC1(Nc2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-anilino-1,3-dioxoinden-2-yl)acetamide?
The InChIKey is ZLUBJHCQQYFKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(20)18-17(19-12-7-3-2-4-8-12)15(21)13-9-5-6-10-14(13)16(17)22/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-(2-anilino-1,3-dioxoinden-2-yl)acetamide?
N-(2-anilino-1,3-dioxoinden-2-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-dioxoinden-2-yl)acetamide is sourced from PubChem (CID 91678904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).