CID 156649576

C17H14AlFN2O — CID 156649576

IUPAC—
SMILESCN(Cc1ccc(F)cc1[Al])C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14FN2O.Al/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16;/h2-6,8-10,19H,11H2,1H3;
InChIKeyBRELXZICGDCSRC-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.37
Rot. Bonds3

About CID 156649576

CID 156649576 (PubChem CID 156649576) has the molecular formula C17H14AlFN2O and a molecular weight of 308.29 g/mol.

Molecular Properties

Compound NameCID 156649576
PubChem CID156649576
Molecular FormulaC17H14AlFN2O
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name—
SMILESCN(Cc1ccc(F)cc1[Al])C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14FN2O.Al/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16;/h2-6,8-10,19H,11H2,1H3;
InChIKeyBRELXZICGDCSRC-UHFFFAOYSA-N
XLogP2.37
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 156649576?
The IUPAC name of CID 156649576 (CID 156649576) is not available.
What is the SMILES notation for CID 156649576?
The canonical SMILES for CID 156649576 is CN(Cc1ccc(F)cc1[Al])C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of CID 156649576?
The InChIKey is BRELXZICGDCSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN2O.Al/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16;/h2-6,8-10,19H,11H2,1H3;.
What are the key properties of CID 156649576?
CID 156649576 has a molecular weight of 308.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156649576 is sourced from PubChem (CID 156649576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).