3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide

C20H18ClFN2O2 — CID 146152051

IUPAC3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1F)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H18ClFN2O2/c1-20(2,12-23-18(25)14-9-6-10-15(21)17(14)22)16-11-26-19(24-16)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyKDPBFCKAVVXFOF-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.84
Rot. Bonds5

About 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide

3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide (PubChem CID 146152051) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide
PubChem CID146152051
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1F)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H18ClFN2O2/c1-20(2,12-23-18(25)14-9-6-10-15(21)17(14)22)16-11-26-19(24-16)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyKDPBFCKAVVXFOF-UHFFFAOYSA-N
XLogP4.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide (CID 146152051) is 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide is CC(C)(CNC(=O)c1cccc(Cl)c1F)c1coc(-c2ccccc2)n1.
What is the InChIKey of 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide?
The InChIKey is KDPBFCKAVVXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-20(2,12-23-18(25)14-9-6-10-15(21)17(14)22)16-11-26-19(24-16)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide?
3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide has a molecular weight of 372.83 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide is sourced from PubChem (CID 146152051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).