N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide

C18H19ClN2O3 — CID 2925837

IUPACN-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
SMILESO=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c19-12-2-1-3-13(9-12)20-14(22)6-7-21-17(23)15-10-4-5-11(8-10)16(15)18(21)24/h1-3,9-11,15-16H,4-8H2,(H,20,22)
InChIKeyHNMMYPUHBXOBSQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.70
Rot. Bonds4

About N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide

N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide (PubChem CID 2925837) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
PubChem CID2925837
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
SMILESO=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c19-12-2-1-3-13(9-12)20-14(22)6-7-21-17(23)15-10-4-5-11(8-10)16(15)18(21)24/h1-3,9-11,15-16H,4-8H2,(H,20,22)
InChIKeyHNMMYPUHBXOBSQ-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide (CID 2925837) is N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide is O=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The InChIKey is HNMMYPUHBXOBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-12-2-1-3-13(9-12)20-14(22)6-7-21-17(23)15-10-4-5-11(8-10)16(15)18(21)24/h1-3,9-11,15-16H,4-8H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide is sourced from PubChem (CID 2925837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).