N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

C24H19FN2O3 — CID 9035250

IUPACN-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccc1F
InChIInChI=1S/C24H19FN2O3/c1-27(13-15-7-2-5-11-19(15)25)14-21(28)26-20-12-6-10-18-22(20)24(30)17-9-4-3-8-16(17)23(18)29/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeySHSZQVMYRNZTIN-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.67
Rot. Bonds5

About N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 9035250) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID9035250
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccc1F
InChIInChI=1S/C24H19FN2O3/c1-27(13-15-7-2-5-11-19(15)25)14-21(28)26-20-12-6-10-18-22(20)24(30)17-9-4-3-8-16(17)23(18)29/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeySHSZQVMYRNZTIN-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.67
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

2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9057937
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18196296
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528
N-(9,10-dioxoanthracen-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 27204408
N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507647
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
2-chloro-N-[8-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide;2-[ethyl(methyl)amino]-N-[8-[[2-[ethyl(methyl)amino]acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 159623112
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 9035250) is N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccc1F.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is SHSZQVMYRNZTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-27(13-15-7-2-5-11-19(15)25)14-21(28)26-20-12-6-10-18-22(20)24(30)17-9-4-3-8-16(17)23(18)29/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 402.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9035250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).