(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C24H24FN3O — CID 118720555

IUPAC(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2c1C[C@H]1C[C@@H]21)c1ccccc1
InChIInChI=1S/C24H24FN3O/c1-24(2,17-6-4-3-5-7-17)26-23(29)21-20-13-16-12-19(16)22(20)28(27-21)14-15-8-10-18(25)11-9-15/h3-11,16,19H,12-14H2,1-2H3,(H,26,29)/t16-,19-/m1/s1
InChIKeyZDRAZCDBPCODBH-VQIMIIECSA-N
MW389.47 g/mol
LogP4.40
Rot. Bonds5

About (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 118720555) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID118720555
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2c1C[C@H]1C[C@@H]21)c1ccccc1
InChIInChI=1S/C24H24FN3O/c1-24(2,17-6-4-3-5-7-17)26-23(29)21-20-13-16-12-19(16)22(20)28(27-21)14-15-8-10-18(25)11-9-15/h3-11,16,19H,12-14H2,1-2H3,(H,26,29)/t16-,19-/m1/s1
InChIKeyZDRAZCDBPCODBH-VQIMIIECSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 118720555) is (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2c1C[C@H]1C[C@@H]21)c1ccccc1.
What is the InChIKey of (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is ZDRAZCDBPCODBH-VQIMIIECSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-24(2,17-6-4-3-5-7-17)26-23(29)21-20-13-16-12-19(16)22(20)28(27-21)14-15-8-10-18(25)11-9-15/h3-11,16,19H,12-14H2,1-2H3,(H,26,29)/t16-,19-/m1/s1.
What are the key properties of (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 118720555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).