2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide

C23H17FN2O3 — CID 9246207

IUPAC2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide
SMILESN#C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O3/c24-19-10-6-16(7-11-19)21(14-25)26-22(27)15-29-20-12-8-18(9-13-20)23(28)17-4-2-1-3-5-17/h1-13,21H,15H2,(H,26,27)/t21-/m1/s1
InChIKeyZHKJFTWETMZRSQ-OAQYLSRUSA-N
MW388.40 g/mol
LogP3.82
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide

2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide (PubChem CID 9246207) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide
PubChem CID9246207
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide
SMILESN#C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O3/c24-19-10-6-16(7-11-19)21(14-25)26-22(27)15-29-20-12-8-18(9-13-20)23(28)17-4-2-1-3-5-17/h1-13,21H,15H2,(H,26,27)/t21-/m1/s1
InChIKeyZHKJFTWETMZRSQ-OAQYLSRUSA-N
XLogP3.82
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide (CID 9246207) is 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide is N#C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide?
The InChIKey is ZHKJFTWETMZRSQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-19-10-6-16(7-11-19)21(14-25)26-22(27)15-29-20-12-8-18(9-13-20)23(28)17-4-2-1-3-5-17/h1-13,21H,15H2,(H,26,27)/t21-/m1/s1.
What are the key properties of 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide?
2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9246207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).