N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide

C23H17N3O3 — CID 2749316

IUPACN-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide
SMILESCC(=O)Nc1c(C=NNc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H17N3O3/c1-14(27)25-21-15(13-24-26-16-7-3-2-4-8-16)11-12-19-20(21)23(29)18-10-6-5-9-17(18)22(19)28/h2-13,26H,1H3,(H,25,27)
InChIKeyDUIOSZKRZJESHQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.87
Rot. Bonds4

About N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide

N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide (PubChem CID 2749316) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide.

Molecular Properties

Compound NameN-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide
PubChem CID2749316
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide
SMILESCC(=O)Nc1c(C=NNc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H17N3O3/c1-14(27)25-21-15(13-24-26-16-7-3-2-4-8-16)11-12-19-20(21)23(29)18-10-6-5-9-17(18)22(19)28/h2-13,26H,1H3,(H,25,27)
InChIKeyDUIOSZKRZJESHQ-UHFFFAOYSA-N
XLogP3.87
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide?
The IUPAC name of N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide (CID 2749316) is N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide.
What is the SMILES notation for N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide?
The canonical SMILES for N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide is CC(=O)Nc1c(C=NNc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide?
The InChIKey is DUIOSZKRZJESHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-14(27)25-21-15(13-24-26-16-7-3-2-4-8-16)11-12-19-20(21)23(29)18-10-6-5-9-17(18)22(19)28/h2-13,26H,1H3,(H,25,27).
What are the key properties of N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide?
N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,10-dioxo-2-[(phenylhydrazinylidene)methyl]anthracen-1-yl]acetamide is sourced from PubChem (CID 2749316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).