CID 155809193

C28H21F2N3O3 — CID 155809193

IUPAC—
SMILESO=C(c1ccc(F)cc1)[C@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3ccc(F)cc32)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C28H21F2N3O3/c29-16-9-7-15(8-10-16)24(34)23-22-6-3-13-33(22)28(19-14-17(30)11-12-21(19)32-26(28)36)27(23)18-4-1-2-5-20(18)31-25(27)35/h1-2,4-5,7-12,14,22-23H,3,6,13H2,(H,31,35)(H,32,36)/t22-,23-,27+,28+/m1/s1
InChIKeyRFCJBSJAGLJPRN-IJEQNIMCSA-N
MW485.49 g/mol
LogP3.98
Rot. Bonds2

About CID 155809193

CID 155809193 (PubChem CID 155809193) has the molecular formula C28H21F2N3O3 and a molecular weight of 485.49 g/mol.

Molecular Properties

Compound NameCID 155809193
PubChem CID155809193
Molecular FormulaC28H21F2N3O3
Molecular Weight485.49 g/mol
Exact Mass485.16
IUPAC Name—
SMILESO=C(c1ccc(F)cc1)[C@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3ccc(F)cc32)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C28H21F2N3O3/c29-16-9-7-15(8-10-16)24(34)23-22-6-3-13-33(22)28(19-14-17(30)11-12-21(19)32-26(28)36)27(23)18-4-1-2-5-20(18)31-25(27)35/h1-2,4-5,7-12,14,22-23H,3,6,13H2,(H,31,35)(H,32,36)/t22-,23-,27+,28+/m1/s1
InChIKeyRFCJBSJAGLJPRN-IJEQNIMCSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 155809193?
The IUPAC name of CID 155809193 (CID 155809193) is not available.
What is the SMILES notation for CID 155809193?
The canonical SMILES for CID 155809193 is O=C(c1ccc(F)cc1)[C@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3ccc(F)cc32)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 155809193?
The InChIKey is RFCJBSJAGLJPRN-IJEQNIMCSA-N. The full InChI is InChI=1S/C28H21F2N3O3/c29-16-9-7-15(8-10-16)24(34)23-22-6-3-13-33(22)28(19-14-17(30)11-12-21(19)32-26(28)36)27(23)18-4-1-2-5-20(18)31-25(27)35/h1-2,4-5,7-12,14,22-23H,3,6,13H2,(H,31,35)(H,32,36)/t22-,23-,27+,28+/m1/s1.
What are the key properties of CID 155809193?
CID 155809193 has a molecular weight of 485.49 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155809193 is sourced from PubChem (CID 155809193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).