CID 136658170

C20H24F3N3O3 — CID 136658170

IUPAC—
SMILESC/N=C1/NC2(C(=O)N1C)c1cc(OC(F)(F)F)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C20H24F3N3O3/c1-24-17-25-19(16(27)26(17)2)15-10-14(29-20(21,22)23)5-4-12(15)11-18(19)8-6-13(28-3)7-9-18/h4-5,10,13H,6-9,11H2,1-3H3,(H,24,25)
InChIKeySJQHCFYNNWGMPN-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.96
Rot. Bonds2

About CID 136658170

CID 136658170 (PubChem CID 136658170) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol.

Molecular Properties

Compound NameCID 136658170
PubChem CID136658170
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name—
SMILESC/N=C1/NC2(C(=O)N1C)c1cc(OC(F)(F)F)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C20H24F3N3O3/c1-24-17-25-19(16(27)26(17)2)15-10-14(29-20(21,22)23)5-4-12(15)11-18(19)8-6-13(28-3)7-9-18/h4-5,10,13H,6-9,11H2,1-3H3,(H,24,25)
InChIKeySJQHCFYNNWGMPN-UHFFFAOYSA-N
XLogP2.96
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 136658170?
The IUPAC name of CID 136658170 (CID 136658170) is not available.
What is the SMILES notation for CID 136658170?
The canonical SMILES for CID 136658170 is C/N=C1/NC2(C(=O)N1C)c1cc(OC(F)(F)F)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 136658170?
The InChIKey is SJQHCFYNNWGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-24-17-25-19(16(27)26(17)2)15-10-14(29-20(21,22)23)5-4-12(15)11-18(19)8-6-13(28-3)7-9-18/h4-5,10,13H,6-9,11H2,1-3H3,(H,24,25).
What are the key properties of CID 136658170?
CID 136658170 has a molecular weight of 411.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136658170 is sourced from PubChem (CID 136658170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).