N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide

C23H18Cl2N2O3 — CID 66491031

IUPACN-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c24-15-5-8-18(17(25)11-15)26-19(28)9-12-1-6-16(7-2-12)27-22(29)20-13-3-4-14(10-13)21(20)23(27)30/h1-8,11,13-14,20-21H,9-10H2,(H,26,28)
InChIKeyGHKNQOLMJNJKIQ-UHFFFAOYSA-N
MW441.31 g/mol
LogP4.49
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide

N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide (PubChem CID 66491031) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide
PubChem CID66491031
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c24-15-5-8-18(17(25)11-15)26-19(28)9-12-1-6-16(7-2-12)27-22(29)20-13-3-4-14(10-13)21(20)23(27)30/h1-8,11,13-14,20-21H,9-10H2,(H,26,28)
InChIKeyGHKNQOLMJNJKIQ-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-4-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98284526
N-(2,4-dichlorophenyl)-4-[(1S,2R,6S,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 124712826
1-(4-chlorophenyl)-3-[[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]methyl]urea
CID 66491102
N-[2-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]furan-2-carboxamide
CID 2906713
N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
CID 23306451
N-(2,5-dichlorophenyl)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98053253
N-(2,5-dichlorophenyl)-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98164986
N-(2,4-dichlorophenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide
CID 19133888
N-[2-chloro-5-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]acetamide
CID 22575108
N-(2-chlorophenyl)-4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7377451
4-[[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 118013488
2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 66491050

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide (CID 66491031) is N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide is O=C(Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide?
The InChIKey is GHKNQOLMJNJKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c24-15-5-8-18(17(25)11-15)26-19(28)9-12-1-6-16(7-2-12)27-22(29)20-13-3-4-14(10-13)21(20)23(27)30/h1-8,11,13-14,20-21H,9-10H2,(H,26,28).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide?
N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide has a molecular weight of 441.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide is sourced from PubChem (CID 66491031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).