CID 90287662

C25H26ClFN2O2 — CID 90287662

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1C21C=C(N)N(C)C1=O
InChIInChI=1S/C25H26ClFN2O2/c1-29-22(28)14-25(23(29)30)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(31-2)6-8-24/h3-4,9-12,14,20H,5-8,13,28H2,1-2H3
InChIKeyOCHBPHCOGAPRRE-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.79
Rot. Bonds2

About CID 90287662

CID 90287662 (PubChem CID 90287662) has the molecular formula C25H26ClFN2O2 and a molecular weight of 440.95 g/mol.

Molecular Properties

Compound NameCID 90287662
PubChem CID90287662
Molecular FormulaC25H26ClFN2O2
Molecular Weight440.95 g/mol
Exact Mass440.17
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1C21C=C(N)N(C)C1=O
InChIInChI=1S/C25H26ClFN2O2/c1-29-22(28)14-25(23(29)30)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(31-2)6-8-24/h3-4,9-12,14,20H,5-8,13,28H2,1-2H3
InChIKeyOCHBPHCOGAPRRE-UHFFFAOYSA-N
XLogP4.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 90287662?
The IUPAC name of CID 90287662 (CID 90287662) is not available.
What is the SMILES notation for CID 90287662?
The canonical SMILES for CID 90287662 is COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1C21C=C(N)N(C)C1=O.
What is the InChIKey of CID 90287662?
The InChIKey is OCHBPHCOGAPRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O2/c1-29-22(28)14-25(23(29)30)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(31-2)6-8-24/h3-4,9-12,14,20H,5-8,13,28H2,1-2H3.
What are the key properties of CID 90287662?
CID 90287662 has a molecular weight of 440.95 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90287662 is sourced from PubChem (CID 90287662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).