2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide

C25H24F2N2O3 — CID 167679278

IUPAC2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide
SMILESCc1cc(NC(=O)C(O)c2cc(F)cc(F)c2)ccc1-c1cncc(C(=O)CC(C)C)c1
InChIInChI=1S/C25H24F2N2O3/c1-14(2)6-23(30)18-8-17(12-28-13-18)22-5-4-21(7-15(22)3)29-25(32)24(31)16-9-19(26)11-20(27)10-16/h4-5,7-14,24,31H,6H2,1-3H3,(H,29,32)
InChIKeyVGXNLATTYNWQPE-UHFFFAOYSA-N
MW438.47 g/mol
LogP5.24
Rot. Bonds7

About 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide

2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide (PubChem CID 167679278) has the molecular formula C25H24F2N2O3 and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide
PubChem CID167679278
Molecular FormulaC25H24F2N2O3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC Name2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide
SMILESCc1cc(NC(=O)C(O)c2cc(F)cc(F)c2)ccc1-c1cncc(C(=O)CC(C)C)c1
InChIInChI=1S/C25H24F2N2O3/c1-14(2)6-23(30)18-8-17(12-28-13-18)22-5-4-21(7-15(22)3)29-25(32)24(31)16-9-19(26)11-20(27)10-16/h4-5,7-14,24,31H,6H2,1-3H3,(H,29,32)
InChIKeyVGXNLATTYNWQPE-UHFFFAOYSA-N
XLogP5.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide (CID 167679278) is 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide is Cc1cc(NC(=O)C(O)c2cc(F)cc(F)c2)ccc1-c1cncc(C(=O)CC(C)C)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide?
The InChIKey is VGXNLATTYNWQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3/c1-14(2)6-23(30)18-8-17(12-28-13-18)22-5-4-21(7-15(22)3)29-25(32)24(31)16-9-19(26)11-20(27)10-16/h4-5,7-14,24,31H,6H2,1-3H3,(H,29,32).
What are the key properties of 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide?
2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide has a molecular weight of 438.47 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 167679278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).