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

C24H19ClN2O3 — CID 9057937

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccc1Cl
InChIInChI=1S/C24H19ClN2O3/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)
InChIKeyKRJXFWRVCLSOLH-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.19
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 9057937) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
PubChem CID9057937
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccc1Cl
InChIInChI=1S/C24H19ClN2O3/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)
InChIKeyKRJXFWRVCLSOLH-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.19
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

N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 34115631
N-(9,10-dioxoanthracen-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 27204408
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
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide (CID 9057937) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide is CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is KRJXFWRVCLSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/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 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 418.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 9057937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).