N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide

C24H18Cl2N2O3 — CID 3770810

IUPACN-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)C3C4C=CC(C5CC45)C3C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c25-18-8-3-12(9-19(18)26)27-22(29)11-1-4-13(5-2-11)28-23(30)20-14-6-7-15(17-10-16(14)17)21(20)24(28)31/h1-9,14-17,20-21H,10H2,(H,27,29)
InChIKeyMDKFZTPGASUDNX-UHFFFAOYSA-N
MW453.33 g/mol
LogP4.80
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide

N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide (PubChem CID 3770810) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide
PubChem CID3770810
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC NameN-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)C3C4C=CC(C5CC45)C3C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c25-18-8-3-12(9-19(18)26)27-22(29)11-1-4-13(5-2-11)28-23(30)20-14-6-7-15(17-10-16(14)17)21(20)24(28)31/h1-9,14-17,20-21H,10H2,(H,27,29)
InChIKeyMDKFZTPGASUDNX-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.33
LogP ≤ 54.80
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-(3-chloro-4-methylphenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide
CID 4594396
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
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 124717645
4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(4-methoxyphenyl)benzamide
CID 3607690
N-(4-chloro-2-hydroxyphenyl)-4-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 124719885
4-[(1S,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(4-phenoxyphenyl)benzamide
CID 98279390
(1R,2R,6R,7R,8S,10R)-4-(3,4-dichlorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99723681
N-(3-chloro-2-methylphenyl)-4-[(1S,2R,6R,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 124771326
propyl 4-[[4-[(1R,2S,6R,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzoyl]amino]benzoate
CID 98279489
N-(2,5-dimethylphenyl)-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 98285413
N-(4-acetylphenyl)-3-[(1R,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98279148

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide (CID 3770810) is N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)C3C4C=CC(C5CC45)C3C2=O)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide?
The InChIKey is MDKFZTPGASUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c25-18-8-3-12(9-19(18)26)27-22(29)11-1-4-13(5-2-11)28-23(30)20-14-6-7-15(17-10-16(14)17)21(20)24(28)31/h1-9,14-17,20-21H,10H2,(H,27,29).
What are the key properties of N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide?
N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide has a molecular weight of 453.33 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide is sourced from PubChem (CID 3770810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).