N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide

C26H23F2N3O3 — CID 57330891

IUPACN-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H23F2N3O3/c1-26(2)24(32)23(30-34-26)16-10-13-21(31(3)4)18(14-16)15-8-11-17(12-9-15)29-25(33)22-19(27)6-5-7-20(22)28/h5-14H,1-4H3,(H,29,33)
InChIKeySUODEOOJCNLTFN-UHFFFAOYSA-N
MW463.48 g/mol
LogP5.03
Rot. Bonds5

About N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide

N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide (PubChem CID 57330891) has the molecular formula C26H23F2N3O3 and a molecular weight of 463.48 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide
PubChem CID57330891
Molecular FormulaC26H23F2N3O3
Molecular Weight463.48 g/mol
Exact Mass463.17
IUPAC NameN-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H23F2N3O3/c1-26(2)24(32)23(30-34-26)16-10-13-21(31(3)4)18(14-16)15-8-11-17(12-9-15)29-25(33)22-19(27)6-5-7-20(22)28/h5-14H,1-4H3,(H,29,33)
InChIKeySUODEOOJCNLTFN-UHFFFAOYSA-N
XLogP5.03
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide (CID 57330891) is N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide is CN(C)c1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is SUODEOOJCNLTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3/c1-26(2)24(32)23(30-34-26)16-10-13-21(31(3)4)18(14-16)15-8-11-17(12-9-15)29-25(33)22-19(27)6-5-7-20(22)28/h5-14H,1-4H3,(H,29,33).
What are the key properties of N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide has a molecular weight of 463.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 57330891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).