N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide

C22H16N2O3 — CID 5166275

IUPACN-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H16N2O3/c1-13(25)23-17-11-12-18(24-14-7-3-2-4-8-14)20-19(17)21(26)15-9-5-6-10-16(15)22(20)27/h2-12,24H,1H3,(H,23,25)
InChIKeyNZNQCFRVZSFFAG-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.16
Rot. Bonds3

About N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide

N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 5166275) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID5166275
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC NameN-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H16N2O3/c1-13(25)23-17-11-12-18(24-14-7-3-2-4-8-14)20-19(17)21(26)15-9-5-6-10-16(15)22(20)27/h2-12,24H,1H3,(H,23,25)
InChIKeyNZNQCFRVZSFFAG-UHFFFAOYSA-N
XLogP4.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
CID 165362960
N-[4-[[9,10-dioxo-4-[4-(propanoylamino)anilino]anthracen-1-yl]amino]phenyl]propanamide
CID 21486208
1-amino-4-anilinoanthracene-9,10-dione
CID 20419
N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
CID 10662413
1,4-dianilino-6-hydroxyanthracene-9,10-dione
CID 86048148
N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
1-anilino-4-phenylsulfanylanthracene-9,10-dione
CID 154117825
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]benzamide
CID 21486214
3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propanoic acid
CID 16833215
tert-butyl N-[2-acetamido-5-[(9,10-dioxoanthracen-1-yl)amino]phenyl]carbamate
CID 90935896
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide (CID 5166275) is N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide is CC(=O)Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is NZNQCFRVZSFFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-13(25)23-17-11-12-18(24-14-7-3-2-4-8-14)20-19(17)21(26)15-9-5-6-10-16(15)22(20)27/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide?
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 5166275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).