N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide

C19H21ClN2O4 — CID 2925447

IUPACN-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C19H21ClN2O4/c1-26-14-5-4-12(20)9-13(14)21-15(23)6-7-22-18(24)16-10-2-3-11(8-10)17(16)19(22)25/h4-5,9-11,16-17H,2-3,6-8H2,1H3,(H,21,23)
InChIKeyMBDWPUWOQANSFQ-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.71
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide (PubChem CID 2925447) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
PubChem CID2925447
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C19H21ClN2O4/c1-26-14-5-4-12(20)9-13(14)21-15(23)6-7-22-18(24)16-10-2-3-11(8-10)17(16)19(22)25/h4-5,9-11,16-17H,2-3,6-8H2,1H3,(H,21,23)
InChIKeyMBDWPUWOQANSFQ-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide (CID 2925447) is N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The InChIKey is MBDWPUWOQANSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-26-14-5-4-12(20)9-13(14)21-15(23)6-7-22-18(24)16-10-2-3-11(8-10)17(16)19(22)25/h4-5,9-11,16-17H,2-3,6-8H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide has a molecular weight of 376.84 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide is sourced from PubChem (CID 2925447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).