2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide

C24H24F2N2O2 — CID 143518384

IUPAC2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide
SMILESCCCC/C(=C(\CC)c1cnco1)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C24H24F2N2O2/c1-3-5-7-19(18(4-2)22-14-27-15-30-22)16-10-12-17(13-11-16)28-24(29)23-20(25)8-6-9-21(23)26/h6,8-15H,3-5,7H2,1-2H3,(H,28,29)/b19-18-
InChIKeyDJNVRBZPXZYYAA-HNENSFHCSA-N
MW410.46 g/mol
LogP6.72
Rot. Bonds8

About 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide

2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide (PubChem CID 143518384) has the molecular formula C24H24F2N2O2 and a molecular weight of 410.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide
PubChem CID143518384
Molecular FormulaC24H24F2N2O2
Molecular Weight410.46 g/mol
Exact Mass410.18
IUPAC Name2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide
SMILESCCCC/C(=C(\CC)c1cnco1)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C24H24F2N2O2/c1-3-5-7-19(18(4-2)22-14-27-15-30-22)16-10-12-17(13-11-16)28-24(29)23-20(25)8-6-9-21(23)26/h6,8-15H,3-5,7H2,1-2H3,(H,28,29)/b19-18-
InChIKeyDJNVRBZPXZYYAA-HNENSFHCSA-N
XLogP6.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide (CID 143518384) is 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide is CCCC/C(=C(\CC)c1cnco1)c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide?
The InChIKey is DJNVRBZPXZYYAA-HNENSFHCSA-N. The full InChI is InChI=1S/C24H24F2N2O2/c1-3-5-7-19(18(4-2)22-14-27-15-30-22)16-10-12-17(13-11-16)28-24(29)23-20(25)8-6-9-21(23)26/h6,8-15H,3-5,7H2,1-2H3,(H,28,29)/b19-18-.
What are the key properties of 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide has a molecular weight of 410.46 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[(Z)-3-(1,3-oxazol-5-yl)oct-3-en-4-yl]phenyl]benzamide is sourced from PubChem (CID 143518384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).