N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide

C17H12BrNO4 — CID 154173793

IUPACN-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide
SMILESCOc1cc(Br)c2c(c1NC(C)=O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12BrNO4/c1-8(20)19-15-12(23-2)7-11(18)13-14(15)17(22)10-6-4-3-5-9(10)16(13)21/h3-7H,1-2H3,(H,19,20)
InChIKeyRUSDEOHLDORZTA-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.19
Rot. Bonds2

About N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide

N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 154173793) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID154173793
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC NameN-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide
SMILESCOc1cc(Br)c2c(c1NC(C)=O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12BrNO4/c1-8(20)19-15-12(23-2)7-11(18)13-14(15)17(22)10-6-4-3-5-9(10)16(13)21/h3-7H,1-2H3,(H,19,20)
InChIKeyRUSDEOHLDORZTA-UHFFFAOYSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetamido-4-bromo-9,10-dioxoanthracene-2-carboxylic acid
CID 18877542
N-(4-bromo-1-methyl-9,10-dioxoanthracen-2-yl)acetamide
CID 70367157
N-(4-bromo-2-methyl-9,10-dioxoanthracen-1-yl)-3-oxobutanamide
CID 5083109
N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide
CID 16765963
2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide
CID 18877497
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
CID 3019962
(Z)-4-[(2,4-dibromo-9,10-dioxoanthracen-1-yl)amino]-4-oxobut-2-enoic acid
CID 18877490
4-bromo-1-(carbamothioylamino)-9,10-dioxoanthracene-2-sulfonic acid
CID 169359908
N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide
CID 19170146
N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
CID 13380581
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide
CID 1214724

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide (CID 154173793) is N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide is COc1cc(Br)c2c(c1NC(C)=O)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is RUSDEOHLDORZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c1-8(20)19-15-12(23-2)7-11(18)13-14(15)17(22)10-6-4-3-5-9(10)16(13)21/h3-7H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 374.19 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 154173793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).