(10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione

C25H24Cl2F2N2O2 — CID 70312684

IUPAC(10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione
SMILESC[C@H]1C(=O)Nc2cc(Cl)ccc2C2(F)C=CC(=C(F)C2)CNC(=O)CC1C1C=CC=C(Cl)C1
InChIInChI=1S/C25H24Cl2F2N2O2/c1-14-19(15-3-2-4-17(26)9-15)11-23(32)30-13-16-7-8-25(29,12-21(16)28)20-6-5-18(27)10-22(20)31-24(14)33/h2-8,10,14-15,19H,9,11-13H2,1H3,(H,30,32)(H,31,33)/t14-,15?,19?,25?/m1/s1
InChIKeyPOUWSLDOTNEKGK-FJXBFCHDSA-N
MW493.38 g/mol
LogP6.10
Rot. Bonds1

About (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione

(10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione (PubChem CID 70312684) has the molecular formula C25H24Cl2F2N2O2 and a molecular weight of 493.38 g/mol. Its IUPAC name is (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione.

Molecular Properties

Compound Name(10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione
PubChem CID70312684
Molecular FormulaC25H24Cl2F2N2O2
Molecular Weight493.38 g/mol
Exact Mass492.12
IUPAC Name(10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione
SMILESC[C@H]1C(=O)Nc2cc(Cl)ccc2C2(F)C=CC(=C(F)C2)CNC(=O)CC1C1C=CC=C(Cl)C1
InChIInChI=1S/C25H24Cl2F2N2O2/c1-14-19(15-3-2-4-17(26)9-15)11-23(32)30-13-16-7-8-25(29,12-21(16)28)20-6-5-18(27)10-22(20)31-24(14)33/h2-8,10,14-15,19H,9,11-13H2,1H3,(H,30,32)(H,31,33)/t14-,15?,19?,25?/m1/s1
InChIKeyPOUWSLDOTNEKGK-FJXBFCHDSA-N
XLogP6.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.38
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione?
The IUPAC name of (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione (CID 70312684) is (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione.
What is the SMILES notation for (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione?
The canonical SMILES for (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione is C[C@H]1C(=O)Nc2cc(Cl)ccc2C2(F)C=CC(=C(F)C2)CNC(=O)CC1C1C=CC=C(Cl)C1.
What is the InChIKey of (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione?
The InChIKey is POUWSLDOTNEKGK-FJXBFCHDSA-N. The full InChI is InChI=1S/C25H24Cl2F2N2O2/c1-14-19(15-3-2-4-17(26)9-15)11-23(32)30-13-16-7-8-25(29,12-21(16)28)20-6-5-18(27)10-22(20)31-24(14)33/h2-8,10,14-15,19H,9,11-13H2,1H3,(H,30,32)(H,31,33)/t14-,15?,19?,25?/m1/s1.
What are the key properties of (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione?
(10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione has a molecular weight of 493.38 g/mol, XLogP of 6.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-chloro-11-(5-chlorocyclohexa-2,4-dien-1-yl)-1,20-difluoro-10-methyl-8,14-diazatricyclo[14.2.2.02,7]icosa-2(7),3,5,16(20),17-pentaene-9,13-dione is sourced from PubChem (CID 70312684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).