N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide

C24H18FN5O5 — CID 10162536

IUPACN-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide
SMILESO=C1C2C3CC(CN3C(=O)Nc3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C24H18FN5O5/c25-13-5-7-14(8-6-13)26-23(32)27-12-15-11-20(27)21-22(31)29(24(33)28(15)21)18-9-10-19(30(34)35)17-4-2-1-3-16(17)18/h1-10,15,20-21H,11-12H2,(H,26,32)
InChIKeyCQFKOCBRYJIBRJ-UHFFFAOYSA-N
MW475.44 g/mol
LogP3.71
Rot. Bonds3

About N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide

N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide (PubChem CID 10162536) has the molecular formula C24H18FN5O5 and a molecular weight of 475.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide
PubChem CID10162536
Molecular FormulaC24H18FN5O5
Molecular Weight475.44 g/mol
Exact Mass475.13
IUPAC NameN-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide
SMILESO=C1C2C3CC(CN3C(=O)Nc3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C24H18FN5O5/c25-13-5-7-14(8-6-13)26-23(32)27-12-15-11-20(27)21-22(31)29(24(33)28(15)21)18-9-10-19(30(34)35)17-4-2-1-3-16(17)18/h1-10,15,20-21H,11-12H2,(H,26,32)
InChIKeyCQFKOCBRYJIBRJ-UHFFFAOYSA-N
XLogP3.71
TPSA116.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide (CID 10162536) is N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide is O=C1C2C3CC(CN3C(=O)Nc3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide?
The InChIKey is CQFKOCBRYJIBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O5/c25-13-5-7-14(8-6-13)26-23(32)27-12-15-11-20(27)21-22(31)29(24(33)28(15)21)18-9-10-19(30(34)35)17-4-2-1-3-16(17)18/h1-10,15,20-21H,11-12H2,(H,26,32).
What are the key properties of N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide?
N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide has a molecular weight of 475.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide is sourced from PubChem (CID 10162536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).