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

C19H21ClN2O3 — CID 2925443

IUPACN-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-10-2-5-13(9-14(10)20)21-15(23)6-7-22-18(24)16-11-3-4-12(8-11)17(16)19(22)25/h2,5,9,11-12,16-17H,3-4,6-8H2,1H3,(H,21,23)
InChIKeyTWWAHIUATHNMIQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.01
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide (PubChem CID 2925443) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
PubChem CID2925443
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-10-2-5-13(9-14(10)20)21-15(23)6-7-22-18(24)16-11-3-4-12(8-11)17(16)19(22)25/h2,5,9,11-12,16-17H,3-4,6-8H2,1H3,(H,21,23)
InChIKeyTWWAHIUATHNMIQ-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.01
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-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide (CID 2925443) is N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide is Cc1ccc(NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
The InChIKey is TWWAHIUATHNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-10-2-5-13(9-14(10)20)21-15(23)6-7-22-18(24)16-11-3-4-12(8-11)17(16)19(22)25/h2,5,9,11-12,16-17H,3-4,6-8H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide?
N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide has a molecular weight of 360.84 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide is sourced from PubChem (CID 2925443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).