11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

C23H18ClFN4O2 — CID 53184028

IUPAC11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CCc2nc3cc(-c4ccccc4)[nH]n3c(=O)c2C1
InChIInChI=1S/C23H18ClFN4O2/c24-17-7-4-8-18(25)15(17)11-22(30)28-10-9-19-16(13-28)23(31)29-21(26-19)12-20(27-29)14-5-2-1-3-6-14/h1-8,12,27H,9-11,13H2
InChIKeyHEGHENAWYWATDV-UHFFFAOYSA-N
MW436.87 g/mol
LogP3.61
Rot. Bonds3

About 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (PubChem CID 53184028) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.

Molecular Properties

Compound Name11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
PubChem CID53184028
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CCc2nc3cc(-c4ccccc4)[nH]n3c(=O)c2C1
InChIInChI=1S/C23H18ClFN4O2/c24-17-7-4-8-18(25)15(17)11-22(30)28-10-9-19-16(13-28)23(31)29-21(26-19)12-20(27-29)14-5-2-1-3-6-14/h1-8,12,27H,9-11,13H2
InChIKeyHEGHENAWYWATDV-UHFFFAOYSA-N
XLogP3.61
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one 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

CID 4526204
CID 4526204
CID 15988878
CID 15988878
CID 15988881
CID 15988881
CID 15988879
CID 15988879
CID 15988883
CID 15988883
CID 15988858
CID 15988858
CID 15988862
CID 15988862
CID 87052408
CID 87052408
CID 87052460
CID 87052460
CID 66836719
CID 66836719
CID 15999600
CID 15999600
CID 22427261
CID 22427261

Frequently Asked Questions

What is the IUPAC name of 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The IUPAC name of 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (CID 53184028) is 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.
What is the SMILES notation for 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The canonical SMILES for 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is O=C(Cc1c(F)cccc1Cl)N1CCc2nc3cc(-c4ccccc4)[nH]n3c(=O)c2C1.
What is the InChIKey of 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The InChIKey is HEGHENAWYWATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-17-7-4-8-18(25)15(17)11-22(30)28-10-9-19-16(13-28)23(31)29-21(26-19)12-20(27-29)14-5-2-1-3-6-14/h1-8,12,27H,9-11,13H2.
What are the key properties of 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one has a molecular weight of 436.87 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is sourced from PubChem (CID 53184028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).