N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide

C21H17Cl3N2O2 — CID 5130019

IUPACN-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C21H17Cl3N2O2/c22-12-5-8-19(16(23)9-12)28-11-20(27)25-13-6-7-18-15(10-13)21(24)14-3-1-2-4-17(14)26-18/h5-10H,1-4,11H2,(H,25,27)
InChIKeyLEGUMGQOGGXQQX-UHFFFAOYSA-N
MW435.74 g/mol
LogP6.09
Rot. Bonds4

About N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 5130019) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID5130019
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC NameN-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C21H17Cl3N2O2/c22-12-5-8-19(16(23)9-12)28-11-20(27)25-13-6-7-18-15(10-13)21(24)14-3-1-2-4-17(14)26-18/h5-10H,1-4,11H2,(H,25,27)
InChIKeyLEGUMGQOGGXQQX-UHFFFAOYSA-N
XLogP6.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)acetamide
CID 16942316
2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)acetamide
CID 16953492
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide
CID 11512135
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 58646148
2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754121
2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889926
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417

Frequently Asked Questions

What is the IUPAC name of N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 5130019) is N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3c(c(Cl)c2c1)CCCC3.
What is the InChIKey of N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is LEGUMGQOGGXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c22-12-5-8-19(16(23)9-12)28-11-20(27)25-13-6-7-18-15(10-13)21(24)14-3-1-2-4-17(14)26-18/h5-10H,1-4,11H2,(H,25,27).
What are the key properties of N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 435.74 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 5130019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).