N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide

C18H14N2O3 — CID 10662413

IUPACN-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC(=O)NC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-11(21)19-15-16(20-12-7-3-2-4-8-12)18(23)14-10-6-5-9-13(14)17(15)22/h2-10,20H,1H3,(H,19,21)
InChIKeyRIYSEXCYSKDFKN-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.53
Rot. Bonds3

About N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide

N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide (PubChem CID 10662413) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
PubChem CID10662413
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC(=O)NC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-11(21)19-15-16(20-12-7-3-2-4-8-12)18(23)14-10-6-5-9-13(14)17(15)22/h2-10,20H,1H3,(H,19,21)
InChIKeyRIYSEXCYSKDFKN-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide
CID 54085843
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide
CID 54020507
cobalt;N-phenylacetamide
CID 158689050
methyl 1-anilino-3-oxoindene-2-carbodithioate
CID 15163648
N-(1-cyclopentyl-3-oxoinden-2-yl)acetamide
CID 54402315
N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-[1-(1-iodo-2-methylbutyl)-3-oxoinden-2-yl]acetamide
CID 54067319
N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide
CID 54256818
N-(3-butylsulfanyl-1,4-dioxonaphthalen-2-yl)acetamide
CID 23275755

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide?
The IUPAC name of N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide (CID 10662413) is N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide is CC(=O)NC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide?
The InChIKey is RIYSEXCYSKDFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11(21)19-15-16(20-12-7-3-2-4-8-12)18(23)14-10-6-5-9-13(14)17(15)22/h2-10,20H,1H3,(H,19,21).
What are the key properties of N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide?
N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide has a molecular weight of 306.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide is sourced from PubChem (CID 10662413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).