N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

C20H24ClFN6O2 — CID 145434867

IUPACN-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCN1CC(N(C)C)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3
InChIInChI=1S/C20H24ClFN6O2/c1-25(2)13-9-26(3)19(29)18-14-11-27(7-6-17(14)24-28(18)10-13)20(30)23-12-4-5-16(22)15(21)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,30)
InChIKeyPTJUBLRWFKWEAP-UHFFFAOYSA-N
MW434.90 g/mol
LogP2.28
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (PubChem CID 145434867) has the molecular formula C20H24ClFN6O2 and a molecular weight of 434.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
PubChem CID145434867
Molecular FormulaC20H24ClFN6O2
Molecular Weight434.90 g/mol
Exact Mass434.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCN1CC(N(C)C)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3
InChIInChI=1S/C20H24ClFN6O2/c1-25(2)13-9-26(3)19(29)18-14-11-27(7-6-17(14)24-28(18)10-13)20(30)23-12-4-5-16(22)15(21)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,30)
InChIKeyPTJUBLRWFKWEAP-UHFFFAOYSA-N
XLogP2.28
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (CID 145434867) is N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is CN1CC(N(C)C)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The InChIKey is PTJUBLRWFKWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN6O2/c1-25(2)13-9-26(3)19(29)18-14-11-27(7-6-17(14)24-28(18)10-13)20(30)23-12-4-5-16(22)15(21)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide has a molecular weight of 434.90 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is sourced from PubChem (CID 145434867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).