N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide

C23H18Cl2N2O3 — CID 99810576

IUPACN-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c24-16-8-5-9-17(25)22(16)20(28)12-26-21(29)13-27-18-10-3-1-6-14(18)23(30)15-7-2-4-11-19(15)27/h1-11,20,28H,12-13H2,(H,26,29)/t20-/m0/s1
InChIKeySOOVHIBFUJAVSH-FQEVSTJZSA-N
MW441.31 g/mol
LogP4.31
Rot. Bonds5

About N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 99810576) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID99810576
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c24-16-8-5-9-17(25)22(16)20(28)12-26-21(29)13-27-18-10-3-1-6-14(18)23(30)15-7-2-4-11-19(15)27/h1-11,20,28H,12-13H2,(H,26,29)/t20-/m0/s1
InChIKeySOOVHIBFUJAVSH-FQEVSTJZSA-N
XLogP4.31
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide
CID 55659317
N-[2-(diethylamino)propyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46433015
2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 43064818
4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
CID 120528483
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43064735
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43063424
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25488588
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 99810576) is N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is SOOVHIBFUJAVSH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c24-16-8-5-9-17(25)22(16)20(28)12-26-21(29)13-27-18-10-3-1-6-14(18)23(30)15-7-2-4-11-19(15)27/h1-11,20,28H,12-13H2,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 441.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 99810576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).