cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

C26H19F2N3O2 — CID 142254318

IUPACcyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESC1=CCCC1.CN1C(=O)c2c(c3c4cc(F)ccc4[nH]c3c3[nH]c4ccc(F)cc4c23)C1=O
InChIInChI=1S/C21H11F2N3O2.C5H8/c1-26-20(27)16-14-10-6-8(22)2-4-12(10)24-18(14)19-15(17(16)21(26)28)11-7-9(23)3-5-13(11)25-19;1-2-4-5-3-1/h2-7,24-25H,1H3;1-2H,3-5H2
InChIKeyLYNZAGCVHGJGCW-UHFFFAOYSA-N
MW443.45 g/mol
LogP6.19
Rot. Bonds

About cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (PubChem CID 142254318) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

Molecular Properties

Compound Namecyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
PubChem CID142254318
Molecular FormulaC26H19F2N3O2
Molecular Weight443.45 g/mol
Exact Mass443.14
IUPAC Namecyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESC1=CCCC1.CN1C(=O)c2c(c3c4cc(F)ccc4[nH]c3c3[nH]c4ccc(F)cc4c23)C1=O
InChIInChI=1S/C21H11F2N3O2.C5H8/c1-26-20(27)16-14-10-6-8(22)2-4-12(10)24-18(14)19-15(17(16)21(26)28)11-7-9(23)3-5-13(11)25-19;1-2-4-5-3-1/h2-7,24-25H,1H3;1-2H,3-5H2
InChIKeyLYNZAGCVHGJGCW-UHFFFAOYSA-N
XLogP6.19
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The IUPAC name of cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (CID 142254318) is cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
What is the SMILES notation for cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The canonical SMILES for cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is C1=CCCC1.CN1C(=O)c2c(c3c4cc(F)ccc4[nH]c3c3[nH]c4ccc(F)cc4c23)C1=O.
What is the InChIKey of cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The InChIKey is LYNZAGCVHGJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F2N3O2.C5H8/c1-26-20(27)16-14-10-6-8(22)2-4-12(10)24-18(14)19-15(17(16)21(26)28)11-7-9(23)3-5-13(11)25-19;1-2-4-5-3-1/h2-7,24-25H,1H3;1-2H,3-5H2.
What are the key properties of cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione has a molecular weight of 443.45 g/mol, XLogP of 6.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is sourced from PubChem (CID 142254318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).