N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide

C26H23ClN2O4 — CID 19646297

IUPACN-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O4/c1-33-21-5-3-2-4-18(21)24(30)28(15-8-6-14(27)7-9-15)13-29-25(31)22-16-10-11-17(20-12-19(16)20)23(22)26(29)32/h2-11,16-17,19-20,22-23H,12-13H2,1H3
InChIKeyCBWMWILNQNVWCO-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.01
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide

N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide (PubChem CID 19646297) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide
PubChem CID19646297
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC NameN-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O4/c1-33-21-5-3-2-4-18(21)24(30)28(15-8-6-14(27)7-9-15)13-29-25(31)22-16-10-11-17(20-12-19(16)20)23(22)26(29)32/h2-11,16-17,19-20,22-23H,12-13H2,1H3
InChIKeyCBWMWILNQNVWCO-UHFFFAOYSA-N
XLogP4.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide
CID 19646350
2-chloro-N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]benzamide
CID 19646291
4-chloro-N-[[(1R,2R,6S,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(2-methoxyphenyl)benzamide
CID 100807967
4-chloro-N-[[(1R,2R,6S,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 100807931
4-chloro-N-[[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 124713607
2-chloro-N-[[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-phenylbenzamide
CID 98106563
N-(4-chlorophenyl)-N-[[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]acetamide
CID 98106069
N-[[(1R,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(2-methoxyphenyl)-2-methylbenzamide
CID 98106628
N-[[(1R,2S,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(2-methoxyphenyl)-2-methylbenzamide
CID 100807954
N-[[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(2-methoxyphenyl)benzamide
CID 98106222
N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(2-methoxyphenyl)-4-methylbenzamide
CID 19646512
3,4-dichloro-N-[[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 124716881

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide (CID 19646297) is N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(CN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is CBWMWILNQNVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-33-21-5-3-2-4-18(21)24(30)28(15-8-6-14(27)7-9-15)13-29-25(31)22-16-10-11-17(20-12-19(16)20)23(22)26(29)32/h2-11,16-17,19-20,22-23H,12-13H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide?
N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 462.93 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 19646297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).