4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

C21H12F2N2O2 — CID 155762134

IUPAC4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESO=C1c2c(n(Cc3cccc(F)c3)c3cccc(F)c3c2=O)-c2cccn21
InChIInChI=1S/C21H12F2N2O2/c22-13-5-1-4-12(10-13)11-25-15-7-2-6-14(23)17(15)20(26)18-19(25)16-8-3-9-24(16)21(18)27/h1-10H,11H2
InChIKeyOTCXCQTWXOLHDL-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.80
Rot. Bonds2

About 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (PubChem CID 155762134) has the molecular formula C21H12F2N2O2 and a molecular weight of 362.34 g/mol. Its IUPAC name is 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.

Molecular Properties

Compound Name4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
PubChem CID155762134
Molecular FormulaC21H12F2N2O2
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESO=C1c2c(n(Cc3cccc(F)c3)c3cccc(F)c3c2=O)-c2cccn21
InChIInChI=1S/C21H12F2N2O2/c22-13-5-1-4-12(10-13)11-25-15-7-2-6-14(23)17(15)20(26)18-19(25)16-8-3-9-24(16)21(18)27/h1-10H,11H2
InChIKeyOTCXCQTWXOLHDL-UHFFFAOYSA-N
XLogP3.80
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione with MolForge

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Related Compounds

7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762107
7-chloro-9-[(4-chlorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762078
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
CID 22738295
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[(4-chlorophenyl)methoxy]-4-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 147882946
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
2-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2952737

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The IUPAC name of 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (CID 155762134) is 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.
What is the SMILES notation for 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The canonical SMILES for 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is O=C1c2c(n(Cc3cccc(F)c3)c3cccc(F)c3c2=O)-c2cccn21.
What is the InChIKey of 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The InChIKey is OTCXCQTWXOLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N2O2/c22-13-5-1-4-12(10-13)11-25-15-7-2-6-14(23)17(15)20(26)18-19(25)16-8-3-9-24(16)21(18)27/h1-10H,11H2.
What are the key properties of 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione has a molecular weight of 362.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is sourced from PubChem (CID 155762134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).