N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide

C16H10ClNO3 — CID 71372099

IUPACN-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10ClNO3/c1-8(19)18-14-12(17)7-6-11-13(14)16(21)10-5-3-2-4-9(10)15(11)20/h2-7H,1H3,(H,18,19)
InChIKeyKWXCXOMDAOPRJO-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.07
Rot. Bonds1

About N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide

N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 71372099) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID71372099
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC NameN-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10ClNO3/c1-8(19)18-14-12(17)7-6-11-13(14)16(21)10-5-3-2-4-9(10)15(11)20/h2-7H,1H3,(H,18,19)
InChIKeyKWXCXOMDAOPRJO-UHFFFAOYSA-N
XLogP3.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide (CID 71372099) is N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide is CC(=O)Nc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is KWXCXOMDAOPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c1-8(19)18-14-12(17)7-6-11-13(14)16(21)10-5-3-2-4-9(10)15(11)20/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide?
N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 299.71 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 71372099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).