4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide

C20H13F2N3O2 — CID 171537901

IUPAC4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(Oc3ccc(C#N)c(F)c3F)ccn2)ccc1C(N)=O
InChIInChI=1S/C20H13F2N3O2/c1-11-8-12(2-4-15(11)20(24)26)16-9-14(6-7-25-16)27-17-5-3-13(10-23)18(21)19(17)22/h2-9H,1H3,(H2,24,26)
InChIKeyFRHKUZHLCCMBCC-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.10
Rot. Bonds4

About 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide

4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide (PubChem CID 171537901) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide
PubChem CID171537901
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(Oc3ccc(C#N)c(F)c3F)ccn2)ccc1C(N)=O
InChIInChI=1S/C20H13F2N3O2/c1-11-8-12(2-4-15(11)20(24)26)16-9-14(6-7-25-16)27-17-5-3-13(10-23)18(21)19(17)22/h2-9H,1H3,(H2,24,26)
InChIKeyFRHKUZHLCCMBCC-UHFFFAOYSA-N
XLogP4.10
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide (CID 171537901) is 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2cc(Oc3ccc(C#N)c(F)c3F)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is FRHKUZHLCCMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c1-11-8-12(2-4-15(11)20(24)26)16-9-14(6-7-25-16)27-17-5-3-13(10-23)18(21)19(17)22/h2-9H,1H3,(H2,24,26).
What are the key properties of 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide?
4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 365.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 171537901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).