N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide

C16H12F2N2O2 — CID 9246224

IUPACN-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESN#C[C@H](NC(=O)COc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-12-6-4-11(5-7-12)15(9-19)20-16(21)10-22-14-3-1-2-13(18)8-14/h1-8,15H,10H2,(H,20,21)/t15-/m0/s1
InChIKeyWIRLBQGBYRVMTF-HNNXBMFYSA-N
MW302.28 g/mol
LogP2.72
Rot. Bonds5

About N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide

N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 9246224) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide
PubChem CID9246224
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC NameN-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESN#C[C@H](NC(=O)COc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-12-6-4-11(5-7-12)15(9-19)20-16(21)10-22-14-3-1-2-13(18)8-14/h1-8,15H,10H2,(H,20,21)/t15-/m0/s1
InChIKeyWIRLBQGBYRVMTF-HNNXBMFYSA-N
XLogP2.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide
CID 9246207
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9246074
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
CID 8802046
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide (CID 9246224) is N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide is N#C[C@H](NC(=O)COc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is WIRLBQGBYRVMTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-12-6-4-11(5-7-12)15(9-19)20-16(21)10-22-14-3-1-2-13(18)8-14/h1-8,15H,10H2,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide?
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 302.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).