3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide

C23H22F2N2O3 — CID 69290584

IUPAC3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide
SMILESCCOC(Cc1ccc(C#N)cc1)(C(N)=O)c1c(F)cc(C2=CCOCC2)cc1F
InChIInChI=1S/C23H22F2N2O3/c1-2-30-23(22(27)28,13-15-3-5-16(14-26)6-4-15)21-19(24)11-18(12-20(21)25)17-7-9-29-10-8-17/h3-7,11-12H,2,8-10,13H2,1H3,(H2,27,28)
InChIKeyNVALCRRIVVOHRX-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.60
Rot. Bonds7

About 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide

3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide (PubChem CID 69290584) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide
PubChem CID69290584
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide
SMILESCCOC(Cc1ccc(C#N)cc1)(C(N)=O)c1c(F)cc(C2=CCOCC2)cc1F
InChIInChI=1S/C23H22F2N2O3/c1-2-30-23(22(27)28,13-15-3-5-16(14-26)6-4-15)21-19(24)11-18(12-20(21)25)17-7-9-29-10-8-17/h3-7,11-12H,2,8-10,13H2,1H3,(H2,27,28)
InChIKeyNVALCRRIVVOHRX-UHFFFAOYSA-N
XLogP3.60
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-phenyl-2-phenylmethoxypropanamide
CID 21024131
(RS)-N-(4-cyano-benzyl)-2-(3,5-difluoro-biphenyl-4-yl)-2-ethoxy-acetamide
CID 21904985
(RS)-N-(4-cyano-benzyl)-2-(3,5-difluoro-biphenyl-4-yl)-2-methoxy-acetamide
CID 21905279
N-[(4-cyanophenyl)methyl]-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxyacetamide
CID 21905329
2,2-Diphenyl-2-(trifluoromethoxy)acetamide
CID 69132403
(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide
CID 69288952
(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide
CID 69290040
2-[1-(3-Fluorophenyl)ethoxy]-2-phenylpropanediamide
CID 69789132
[2-Amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate
CID 70536596
2-Butoxy-3,3,3-trifluoro-2-phenylpropanamide
CID 71082105
2-[3-(4-Fluorophenyl)phenyl]-2-methoxypropanamide
CID 90757877
5-[4-(Aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide
CID 90882895

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide?
The IUPAC name of 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide (CID 69290584) is 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide is CCOC(Cc1ccc(C#N)cc1)(C(N)=O)c1c(F)cc(C2=CCOCC2)cc1F.
What is the InChIKey of 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide?
The InChIKey is NVALCRRIVVOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c1-2-30-23(22(27)28,13-15-3-5-16(14-26)6-4-15)21-19(24)11-18(12-20(21)25)17-7-9-29-10-8-17/h3-7,11-12H,2,8-10,13H2,1H3,(H2,27,28).
What are the key properties of 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide?
3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide has a molecular weight of 412.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-2-ethoxypropanamide is sourced from PubChem (CID 69290584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).