N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide

C24H24Cl2N2O3 — CID 124713960

IUPACN-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1
InChIInChI=1S/C24H24Cl2N2O3/c25-17-2-1-3-18(21(17)26)27-22(29)11-4-6-12(7-5-11)28-23(30)19-13-8-9-14(16-10-15(13)16)20(19)24(28)31/h1-3,8-9,11-16,19-20H,4-7,10H2,(H,27,29)/t11?,12?,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyIERSZMVRBVXEEG-VZPPNXAYSA-N
MW459.37 g/mol
LogP4.54
Rot. Bonds3

About N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide

N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide (PubChem CID 124713960) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
PubChem CID124713960
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC NameN-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1
InChIInChI=1S/C24H24Cl2N2O3/c25-17-2-1-3-18(21(17)26)27-22(29)11-4-6-12(7-5-11)28-23(30)19-13-8-9-14(16-10-15(13)16)20(19)24(28)31/h1-3,8-9,11-16,19-20H,4-7,10H2,(H,27,29)/t11?,12?,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyIERSZMVRBVXEEG-VZPPNXAYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.54
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'}

Analyze N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(2,3-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 6594097
N-(2,5-dichlorophenyl)-4-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
CID 98449124
4-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-phenylcyclohexane-1-carboxamide
CID 98157524
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)cyclohexane-1-carboxamide
CID 2949656
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
(2R)-N-(2,3-dichlorophenyl)-2-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124717786
N-(4-bromophenyl)-4-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
CID 98189042
4-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 124714266
N-(2,3-dichlorophenyl)-3-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124718463
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
4-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 98269760
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide (CID 124713960) is N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide?
The InChIKey is IERSZMVRBVXEEG-VZPPNXAYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c25-17-2-1-3-18(21(17)26)27-22(29)11-4-6-12(7-5-11)28-23(30)19-13-8-9-14(16-10-15(13)16)20(19)24(28)31/h1-3,8-9,11-16,19-20H,4-7,10H2,(H,27,29)/t11?,12?,13-,14-,15-,16-,19+,20+/m0/s1.
What are the key properties of N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide?
N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide has a molecular weight of 459.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124713960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).