N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide

C29H23FN2O — CID 23740938

IUPACN-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1
InChIInChI=1S/C29H23FN2O/c30-21-14-11-19(12-15-21)29(33)31-22-7-3-6-20(17-22)28-25-10-4-9-24(25)27-23-8-2-1-5-18(23)13-16-26(27)32-28/h1-9,11-17,24-25,28,32H,10H2,(H,31,33)
InChIKeyZZIXCHIEESZZDI-UHFFFAOYSA-N
MW434.51 g/mol
LogP7.06
Rot. Bonds3

About N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide

N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide (PubChem CID 23740938) has the molecular formula C29H23FN2O and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide
PubChem CID23740938
Molecular FormulaC29H23FN2O
Molecular Weight434.51 g/mol
Exact Mass434.18
IUPAC NameN-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1
InChIInChI=1S/C29H23FN2O/c30-21-14-11-19(12-15-21)29(33)31-22-7-3-6-20(17-22)28-25-10-4-9-24(25)27-23-8-2-1-5-18(23)13-16-26(27)32-28/h1-9,11-17,24-25,28,32H,10H2,(H,31,33)
InChIKeyZZIXCHIEESZZDI-UHFFFAOYSA-N
XLogP7.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide 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

N-[3-[(12R,13R,17R)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl]phenyl]-4-nitrobenzamide
CID 40618056
N-[3-[(12R,13S,17R)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl]phenyl]-4-nitrobenzamide
CID 51423269
4-tert-butyl-N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]benzamide
CID 17242472
N-[4-(3-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]benzamide
CID 17238674
3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide
CID 17252640
4-tert-butyl-N-[4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]benzamide
CID 17242144
(12R,13R,17S)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaene-12-carboxylate
CID 7331540
1-[(3aS,4R,9bR)-4-(3-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 7317056
3-methyl-N-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide
CID 17252662
(11R,15R,16R)-16-(3-fluorophenyl)-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12-hexaene
CID 126159831
N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)butanamide
CID 17240887
(3aS,4R,9bR)-4-(3-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 7070710

Frequently Asked Questions

What is the IUPAC name of N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide (CID 23740938) is N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide is O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide?
The InChIKey is ZZIXCHIEESZZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O/c30-21-14-11-19(12-15-21)29(33)31-22-7-3-6-20(17-22)28-25-10-4-9-24(25)27-23-8-2-1-5-18(23)13-16-26(27)32-28/h1-9,11-17,24-25,28,32H,10H2,(H,31,33).
What are the key properties of N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide?
N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide has a molecular weight of 434.51 g/mol, XLogP of 7.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 23740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).