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

C16H10BrNO3 — CID 24884684

IUPAC2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESO=C(CBr)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10BrNO3/c17-8-13(19)18-12-7-3-6-11-14(12)16(21)10-5-2-1-4-9(10)15(11)20/h1-7H,8H2,(H,18,19)
InChIKeyMAUPEUPHEPMTIE-UHFFFAOYSA-N
MW344.16 g/mol
LogP2.80
Rot. Bonds2

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

2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 24884684) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
PubChem CID24884684
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESO=C(CBr)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10BrNO3/c17-8-13(19)18-12-7-3-6-11-14(12)16(21)10-5-2-1-4-9(10)15(11)20/h1-7H,8H2,(H,18,19)
InChIKeyMAUPEUPHEPMTIE-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-(2-hydroxyethyl)azanium
CID 7343695
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 3-bromobenzoate
CID 3678328
2-(4-aminobutylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 90644039
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792
3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 102155791

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide (CID 24884684) is 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide is O=C(CBr)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is MAUPEUPHEPMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-8-13(19)18-12-7-3-6-11-14(12)16(21)10-5-2-1-4-9(10)15(11)20/h1-7H,8H2,(H,18,19).
What are the key properties of 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide?
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 344.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 24884684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).