(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide

C24H20F2N2O2 — CID 69288952

IUPAC(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide
SMILESCCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C24H20F2N2O2/c1-2-30-23(24(29)28-15-17-10-8-16(14-27)9-11-17)22-20(25)12-19(13-21(22)26)18-6-4-3-5-7-18/h3-13,23H,2,15H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeyVAMDOGNCVVSBDX-QHCPKHFHSA-N
MW406.43 g/mol
LogP4.90
Rot. Bonds7

About (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide

(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide (PubChem CID 69288952) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide.

Molecular Properties

Compound Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide
PubChem CID69288952
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide
SMILESCCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C24H20F2N2O2/c1-2-30-23(24(29)28-15-17-10-8-16(14-27)9-11-17)22-20(25)12-19(13-21(22)26)18-6-4-3-5-7-18/h3-13,23H,2,15H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeyVAMDOGNCVVSBDX-QHCPKHFHSA-N
XLogP4.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide?
The IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide (CID 69288952) is (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide.
What is the SMILES notation for (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide?
The canonical SMILES for (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide is CCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide?
The InChIKey is VAMDOGNCVVSBDX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-2-30-23(24(29)28-15-17-10-8-16(14-27)9-11-17)22-20(25)12-19(13-21(22)26)18-6-4-3-5-7-18/h3-13,23H,2,15H2,1H3,(H,28,29)/t23-/m0/s1.
What are the key properties of (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide?
(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide has a molecular weight of 406.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-ethoxyacetamide is sourced from PubChem (CID 69288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).