3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

C24H29F2N3O2 — CID 24954481

IUPAC3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2(C)C1(C)C
InChIInChI=1S/C24H29F2N3O2/c1-22(2,3)17(30)12-27-21(31)19-18-14-9-10-24(6,23(14,4)5)20(18)29(28-19)16-8-7-13(25)11-15(16)26/h7-8,11,14H,9-10,12H2,1-6H3,(H,27,31)
InChIKeyLXKQCSAGWRVKGG-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.67
Rot. Bonds4

About 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide (PubChem CID 24954481) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
PubChem CID24954481
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2(C)C1(C)C
InChIInChI=1S/C24H29F2N3O2/c1-22(2,3)17(30)12-27-21(31)19-18-14-9-10-24(6,23(14,4)5)20(18)29(28-19)16-8-7-13(25)11-15(16)26/h7-8,11,14H,9-10,12H2,1-6H3,(H,27,31)
InChIKeyLXKQCSAGWRVKGG-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide (CID 24954481) is 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide is CC(C)(C)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1C1CCC2(C)C1(C)C.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The InChIKey is LXKQCSAGWRVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c1-22(2,3)17(30)12-27-21(31)19-18-14-9-10-24(6,23(14,4)5)20(18)29(28-19)16-8-7-13(25)11-15(16)26/h7-8,11,14H,9-10,12H2,1-6H3,(H,27,31).
What are the key properties of 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-(3,3-dimethyl-2-oxobutyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 24954481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).