(2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C23H19F2N3O — CID 118720559

IUPAC(2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m1/s1
InChIKeyMPLRNAYZKDYUTL-CZUORRHYSA-N
MW391.42 g/mol
LogP4.23
Rot. Bonds4

About (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 118720559) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID118720559
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name(2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m1/s1
InChIKeyMPLRNAYZKDYUTL-CZUORRHYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-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-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 118720559) is (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is O=C(NC1(c2ccccc2)CC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21.
What is the InChIKey of (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is MPLRNAYZKDYUTL-CZUORRHYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m1/s1.
What are the key properties of (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(2,4-difluorophenyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 118720559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).