CID 166449147

C27H21F3N2O3 — CID 166449147

IUPAC—
SMILESCN1C(=O)[C@]2(N[C@H](C(F)(F)F)[C@@H](c3ccccc3)[C@@]23COc2ccccc2C3=O)c2ccccc21
InChIInChI=1S/C27H21F3N2O3/c1-32-19-13-7-6-12-18(19)26(24(32)34)25(15-35-20-14-8-5-11-17(20)23(25)33)21(16-9-3-2-4-10-16)22(31-26)27(28,29)30/h2-14,21-22,31H,15H2,1H3/t21-,22+,25-,26-/m1/s1
InChIKeyAWHOCYDSIYTLSQ-USXZWKKNSA-N
MW478.47 g/mol
LogP4.44
Rot. Bonds1

About CID 166449147

CID 166449147 (PubChem CID 166449147) has the molecular formula C27H21F3N2O3 and a molecular weight of 478.47 g/mol.

Molecular Properties

Compound NameCID 166449147
PubChem CID166449147
Molecular FormulaC27H21F3N2O3
Molecular Weight478.47 g/mol
Exact Mass478.15
IUPAC Name—
SMILESCN1C(=O)[C@]2(N[C@H](C(F)(F)F)[C@@H](c3ccccc3)[C@@]23COc2ccccc2C3=O)c2ccccc21
InChIInChI=1S/C27H21F3N2O3/c1-32-19-13-7-6-12-18(19)26(24(32)34)25(15-35-20-14-8-5-11-17(20)23(25)33)21(16-9-3-2-4-10-16)22(31-26)27(28,29)30/h2-14,21-22,31H,15H2,1H3/t21-,22+,25-,26-/m1/s1
InChIKeyAWHOCYDSIYTLSQ-USXZWKKNSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 166449147?
The IUPAC name of CID 166449147 (CID 166449147) is not available.
What is the SMILES notation for CID 166449147?
The canonical SMILES for CID 166449147 is CN1C(=O)[C@]2(N[C@H](C(F)(F)F)[C@@H](c3ccccc3)[C@@]23COc2ccccc2C3=O)c2ccccc21.
What is the InChIKey of CID 166449147?
The InChIKey is AWHOCYDSIYTLSQ-USXZWKKNSA-N. The full InChI is InChI=1S/C27H21F3N2O3/c1-32-19-13-7-6-12-18(19)26(24(32)34)25(15-35-20-14-8-5-11-17(20)23(25)33)21(16-9-3-2-4-10-16)22(31-26)27(28,29)30/h2-14,21-22,31H,15H2,1H3/t21-,22+,25-,26-/m1/s1.
What are the key properties of CID 166449147?
CID 166449147 has a molecular weight of 478.47 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166449147 is sourced from PubChem (CID 166449147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).