CID 144880972

C25H24FN2O2 — CID 144880972

IUPAC—
SMILESCCC.O=C(C1=C[CH]1)c1cncc(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C22H16FN2O2.C3H8/c23-20-11-15(4-5-18(20)14-25-8-2-1-3-21(25)26)9-16-10-19(13-24-12-16)22(27)17-6-7-17;1-3-2/h1-8,10-13H,9,14H2;3H2,1-2H3
InChIKeyCSSVFJLQFBWJLM-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.76
Rot. Bonds6

About CID 144880972

CID 144880972 (PubChem CID 144880972) has the molecular formula C25H24FN2O2 and a molecular weight of 403.48 g/mol.

Molecular Properties

Compound NameCID 144880972
PubChem CID144880972
Molecular FormulaC25H24FN2O2
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name—
SMILESCCC.O=C(C1=C[CH]1)c1cncc(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C22H16FN2O2.C3H8/c23-20-11-15(4-5-18(20)14-25-8-2-1-3-21(25)26)9-16-10-19(13-24-12-16)22(27)17-6-7-17;1-3-2/h1-8,10-13H,9,14H2;3H2,1-2H3
InChIKeyCSSVFJLQFBWJLM-UHFFFAOYSA-N
XLogP4.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 144880972?
The IUPAC name of CID 144880972 (CID 144880972) is not available.
What is the SMILES notation for CID 144880972?
The canonical SMILES for CID 144880972 is CCC.O=C(C1=C[CH]1)c1cncc(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1.
What is the InChIKey of CID 144880972?
The InChIKey is CSSVFJLQFBWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN2O2.C3H8/c23-20-11-15(4-5-18(20)14-25-8-2-1-3-21(25)26)9-16-10-19(13-24-12-16)22(27)17-6-7-17;1-3-2/h1-8,10-13H,9,14H2;3H2,1-2H3.
What are the key properties of CID 144880972?
CID 144880972 has a molecular weight of 403.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144880972 is sourced from PubChem (CID 144880972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).