2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide

C23H14ClF3N2O2 — CID 44517800

IUPAC2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H14ClF3N2O2/c24-18-9-5-4-8-17(18)21(30)28-16-12-10-15(11-13-16)22-29-19(14-6-2-1-3-7-14)20(31-22)23(25,26)27/h1-13H,(H,28,30)
InChIKeyNGZBROVMEZFFKM-UHFFFAOYSA-N
MW442.82 g/mol
LogP6.93
Rot. Bonds4

About 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide

2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 44517800) has the molecular formula C23H14ClF3N2O2 and a molecular weight of 442.82 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID44517800
Molecular FormulaC23H14ClF3N2O2
Molecular Weight442.82 g/mol
Exact Mass442.07
IUPAC Name2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H14ClF3N2O2/c24-18-9-5-4-8-17(18)21(30)28-16-12-10-15(11-13-16)22-29-19(14-6-2-1-3-7-14)20(31-22)23(25,26)27/h1-13H,(H,28,30)
InChIKeyNGZBROVMEZFFKM-UHFFFAOYSA-N
XLogP6.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.82
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 44517800) is 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is NGZBROVMEZFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N2O2/c24-18-9-5-4-8-17(18)21(30)28-16-12-10-15(11-13-16)22-29-19(14-6-2-1-3-7-14)20(31-22)23(25,26)27/h1-13H,(H,28,30).
What are the key properties of 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 442.82 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 44517800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).