2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide

C16H13FN2O2 — CID 99842144

IUPAC2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide
SMILESC[C@H](Oc1cccc(F)c1C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H13FN2O2/c1-10(12-7-5-11(9-18)6-8-12)21-14-4-2-3-13(17)15(14)16(19)20/h2-8,10H,1H3,(H2,19,20)/t10-/m0/s1
InChIKeyHUFVUPKBJLODTN-JTQLQIEISA-N
MW284.29 g/mol
LogP2.94
Rot. Bonds4

About 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide

2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide (PubChem CID 99842144) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide
PubChem CID99842144
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide
SMILESC[C@H](Oc1cccc(F)c1C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H13FN2O2/c1-10(12-7-5-11(9-18)6-8-12)21-14-4-2-3-13(17)15(14)16(19)20/h2-8,10H,1H3,(H2,19,20)/t10-/m0/s1
InChIKeyHUFVUPKBJLODTN-JTQLQIEISA-N
XLogP2.94
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide
CID 43609531
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
(4-cyanophenyl) 2,6-difluorobenzoate
CID 532326
2-(2-carbamothioyl-3-fluorophenoxy)propanamide
CID 43609505
CID 161042703
CID 161042703
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7842738
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 47003917
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide?
The IUPAC name of 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide (CID 99842144) is 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide.
What is the SMILES notation for 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide?
The canonical SMILES for 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide is C[C@H](Oc1cccc(F)c1C(N)=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide?
The InChIKey is HUFVUPKBJLODTN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10(12-7-5-11(9-18)6-8-12)21-14-4-2-3-13(17)15(14)16(19)20/h2-8,10H,1H3,(H2,19,20)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide?
2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide is sourced from PubChem (CID 99842144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).