4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide

C28H25F2N3O — CID 135306456

IUPAC4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide
SMILESCc1ccccc1-c1nccnc1-c1ccc(NC(=O)C(CC(F)CF)c2ccccc2)cc1
InChIInChI=1S/C28H25F2N3O/c1-19-7-5-6-10-24(19)27-26(31-15-16-32-27)21-11-13-23(14-12-21)33-28(34)25(17-22(30)18-29)20-8-3-2-4-9-20/h2-16,22,25H,17-18H2,1H3,(H,33,34)
InChIKeyJHCHQYKJJZQBGQ-UHFFFAOYSA-N
MW457.52 g/mol
LogP6.54
Rot. Bonds8

About 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide

4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide (PubChem CID 135306456) has the molecular formula C28H25F2N3O and a molecular weight of 457.52 g/mol. Its IUPAC name is 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide.

Molecular Properties

Compound Name4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide
PubChem CID135306456
Molecular FormulaC28H25F2N3O
Molecular Weight457.52 g/mol
Exact Mass457.20
IUPAC Name4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide
SMILESCc1ccccc1-c1nccnc1-c1ccc(NC(=O)C(CC(F)CF)c2ccccc2)cc1
InChIInChI=1S/C28H25F2N3O/c1-19-7-5-6-10-24(19)27-26(31-15-16-32-27)21-11-13-23(14-12-21)33-28(34)25(17-22(30)18-29)20-8-3-2-4-9-20/h2-16,22,25H,17-18H2,1H3,(H,33,34)
InChIKeyJHCHQYKJJZQBGQ-UHFFFAOYSA-N
XLogP6.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.52
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 4061544
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide
CID 138751961
2-phenyl-3-pyridin-2-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 110628941
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide?
The IUPAC name of 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide (CID 135306456) is 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide.
What is the SMILES notation for 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide?
The canonical SMILES for 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide is Cc1ccccc1-c1nccnc1-c1ccc(NC(=O)C(CC(F)CF)c2ccccc2)cc1.
What is the InChIKey of 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide?
The InChIKey is JHCHQYKJJZQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N3O/c1-19-7-5-6-10-24(19)27-26(31-15-16-32-27)21-11-13-23(14-12-21)33-28(34)25(17-22(30)18-29)20-8-3-2-4-9-20/h2-16,22,25H,17-18H2,1H3,(H,33,34).
What are the key properties of 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide?
4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide has a molecular weight of 457.52 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-[4-[3-(2-methylphenyl)pyrazin-2-yl]phenyl]-2-phenylpentanamide is sourced from PubChem (CID 135306456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).