CID 46892271

C23H25ClFN3O2 — CID 46892271

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
InChIKeyVIMGJCVRUVNFFH-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.62
Rot. Bonds2

About CID 46892271

CID 46892271 (PubChem CID 46892271) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol.

Molecular Properties

Compound NameCID 46892271
PubChem CID46892271
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
InChIKeyVIMGJCVRUVNFFH-UHFFFAOYSA-N
XLogP4.62
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 46892271?
The IUPAC name of CID 46892271 (CID 46892271) is not available.
What is the SMILES notation for CID 46892271?
The canonical SMILES for CID 46892271 is COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 46892271?
The InChIKey is VIMGJCVRUVNFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27).
What are the key properties of CID 46892271?
CID 46892271 has a molecular weight of 429.92 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46892271 is sourced from PubChem (CID 46892271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).