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

C26H21F2N3O4 — CID 57330438

IUPACN-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H21F2N3O4/c1-14(32)29-21-12-9-16(23-24(33)26(2,3)35-31-23)13-18(21)15-7-10-17(11-8-15)30-25(34)22-19(27)5-4-6-20(22)28/h4-13H,1-3H3,(H,29,32)(H,30,34)
InChIKeyOJFPHWNCWJVHFQ-UHFFFAOYSA-N
MW477.47 g/mol
LogP4.92
Rot. Bonds5

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

N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide (PubChem CID 57330438) has the molecular formula C26H21F2N3O4 and a molecular weight of 477.47 g/mol. Its IUPAC name is N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide
PubChem CID57330438
Molecular FormulaC26H21F2N3O4
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC NameN-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H21F2N3O4/c1-14(32)29-21-12-9-16(23-24(33)26(2,3)35-31-23)13-18(21)15-7-10-17(11-8-15)30-25(34)22-19(27)5-4-6-20(22)28/h4-13H,1-3H3,(H,29,32)(H,30,34)
InChIKeyOJFPHWNCWJVHFQ-UHFFFAOYSA-N
XLogP4.92
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide (CID 57330438) is N-[4-[2-acetamido-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-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide is CC(=O)Nc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is OJFPHWNCWJVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O4/c1-14(32)29-21-12-9-16(23-24(33)26(2,3)35-31-23)13-18(21)15-7-10-17(11-8-15)30-25(34)22-19(27)5-4-6-20(22)28/h4-13H,1-3H3,(H,29,32)(H,30,34).
What are the key properties of N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide?
N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide has a molecular weight of 477.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-acetamido-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 57330438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).