2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide

C24H20ClN3O3 — CID 55659317

IUPAC2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C24H20ClN3O3/c25-19-10-4-1-7-16(19)24(31)27-14-13-26-22(29)15-28-20-11-5-2-8-17(20)23(30)18-9-3-6-12-21(18)28/h1-12H,13-15H2,(H,26,29)(H,27,31)
InChIKeyKIIJUNAQMITFIN-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.35
Rot. Bonds6

About 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide (PubChem CID 55659317) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide
PubChem CID55659317
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C24H20ClN3O3/c25-19-10-4-1-7-16(19)24(31)27-14-13-26-22(29)15-28-20-11-5-2-8-17(20)23(30)18-9-3-6-12-21(18)28/h1-12H,13-15H2,(H,26,29)(H,27,31)
InChIKeyKIIJUNAQMITFIN-UHFFFAOYSA-N
XLogP3.35
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622354
2-carbazol-9-yl-N-(2-hydroxyethyl)acetamide
CID 43509864
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030755
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide (CID 55659317) is 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is KIIJUNAQMITFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-19-10-4-1-7-16(19)24(31)27-14-13-26-22(29)15-28-20-11-5-2-8-17(20)23(30)18-9-3-6-12-21(18)28/h1-12H,13-15H2,(H,26,29)(H,27,31).
What are the key properties of 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).