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

C23H20F2N2O2 — CID 24830641

IUPAC2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C23H20F2N2O2/c24-19-7-4-8-20(25)22(19)23(28)27-16-11-9-15(10-12-16)17-5-2-1-3-6-18(17)21-13-26-14-29-21/h4,7-14H,1-3,5-6H2,(H,27,28)
InChIKeyBCAVVFXLQGBVTM-UHFFFAOYSA-N
MW394.42 g/mol
LogP6.08
Rot. Bonds4

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

2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide (PubChem CID 24830641) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide
PubChem CID24830641
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC Name2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C23H20F2N2O2/c24-19-7-4-8-20(25)22(19)23(28)27-16-11-9-15(10-12-16)17-5-2-1-3-6-18(17)21-13-26-14-29-21/h4,7-14H,1-3,5-6H2,(H,27,28)
InChIKeyBCAVVFXLQGBVTM-UHFFFAOYSA-N
XLogP6.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 56.08
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-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide (CID 24830641) is 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide is O=C(Nc1ccc(C2=C(c3cnco3)CCCCC2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide?
The InChIKey is BCAVVFXLQGBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c24-19-7-4-8-20(25)22(19)23(28)27-16-11-9-15(10-12-16)17-5-2-1-3-6-18(17)21-13-26-14-29-21/h4,7-14H,1-3,5-6H2,(H,27,28).
What are the key properties of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide has a molecular weight of 394.42 g/mol, XLogP of 6.08, 4 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-[2-(1,3-oxazol-5-yl)cyclohepten-1-yl]phenyl]benzamide is sourced from PubChem (CID 24830641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).