16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione

C19H8ClFN2O2 — CID 162654017

IUPAC16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
SMILESO=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)c(Cl)cc3c21
InChIInChI=1S/C19H8ClFN2O2/c20-11-5-9-14(6-12(11)21)22-7-10-15(9)19(25)17-16(18(10)24)8-3-1-2-4-13(8)23-17/h1-7,23H
InChIKeyDDFLFZZXMYTANM-UHFFFAOYSA-N
MW350.74 g/mol
LogP4.28
Rot. Bonds

About 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione

16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione (PubChem CID 162654017) has the molecular formula C19H8ClFN2O2 and a molecular weight of 350.74 g/mol. Its IUPAC name is 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione.

Molecular Properties

Compound Name16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
PubChem CID162654017
Molecular FormulaC19H8ClFN2O2
Molecular Weight350.74 g/mol
Exact Mass350.03
IUPAC Name16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
SMILESO=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)c(Cl)cc3c21
InChIInChI=1S/C19H8ClFN2O2/c20-11-5-9-14(6-12(11)21)22-7-10-15(9)19(25)17-16(18(10)24)8-3-1-2-4-13(8)23-17/h1-7,23H
InChIKeyDDFLFZZXMYTANM-UHFFFAOYSA-N
XLogP4.28
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
The IUPAC name of 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione (CID 162654017) is 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione.
What is the SMILES notation for 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
The canonical SMILES for 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione is O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)c(Cl)cc3c21.
What is the InChIKey of 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
The InChIKey is DDFLFZZXMYTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8ClFN2O2/c20-11-5-9-14(6-12(11)21)22-7-10-15(9)19(25)17-16(18(10)24)8-3-1-2-4-13(8)23-17/h1-7,23H.
What are the key properties of 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione has a molecular weight of 350.74 g/mol, XLogP of 4.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione is sourced from PubChem (CID 162654017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).