N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide

C23H19FN2O2 — CID 89121245

IUPACN-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
SMILESC=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O2/c1-13-20-15-2-3-16(12-15)21(20)23(28)26(13)19-10-4-14(5-11-19)22(27)25-18-8-6-17(24)7-9-18/h2-11,15-16,20-21H,1,12H2,(H,25,27)
InChIKeyJTLAJQILPLENMB-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.38
Rot. Bonds3

About N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide

N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide (PubChem CID 89121245) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
PubChem CID89121245
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC NameN-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
SMILESC=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O2/c1-13-20-15-2-3-16(12-15)21(20)23(28)26(13)19-10-4-14(5-11-19)22(27)25-18-8-6-17(24)7-9-18/h2-11,15-16,20-21H,1,12H2,(H,25,27)
InChIKeyJTLAJQILPLENMB-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 124775313
4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 98119155
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-fluorophenyl)benzamide
CID 23309059
4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-fluorophenyl)benzamide
CID 45270654
N-(3,4-dimethylphenyl)-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23306501
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 98234441
4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 98258745
4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-fluorophenyl)benzamide
CID 2932945
4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-fluorophenyl)benzamide
CID 1292911
4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[3-[4-[[4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoyl]amino]phenoxy]phenoxy]phenyl]benzamide
CID 99651937
4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylbenzamide
CID 98272705
4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-hydroxyphenyl)benzamide
CID 124715550

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide (CID 89121245) is N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide is C=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
The InChIKey is JTLAJQILPLENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-13-20-15-2-3-16(12-15)21(20)23(28)26(13)19-10-4-14(5-11-19)22(27)25-18-8-6-17(24)7-9-18/h2-11,15-16,20-21H,1,12H2,(H,25,27).
What are the key properties of N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide has a molecular weight of 374.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(3-methylidene-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide is sourced from PubChem (CID 89121245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).