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

C23H18F2N2O2 — CID 69290040

IUPAC(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide
SMILESCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C23H18F2N2O2/c1-29-22(23(28)27-14-16-9-7-15(13-26)8-10-16)21-19(24)11-18(12-20(21)25)17-5-3-2-4-6-17/h2-12,22H,14H2,1H3,(H,27,28)/t22-/m0/s1
InChIKeyWLKCEXJKLINIBU-QFIPXVFZSA-N
MW392.41 g/mol
LogP4.51
Rot. Bonds6

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

(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide (PubChem CID 69290040) has the molecular formula C23H18F2N2O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide
PubChem CID69290040
Molecular FormulaC23H18F2N2O2
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide
SMILESCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C23H18F2N2O2/c1-29-22(23(28)27-14-16-9-7-15(13-26)8-10-16)21-19(24)11-18(12-20(21)25)17-5-3-2-4-6-17/h2-12,22H,14H2,1H3,(H,27,28)/t22-/m0/s1
InChIKeyWLKCEXJKLINIBU-QFIPXVFZSA-N
XLogP4.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.51
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-methoxyacetamide?
The IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide (CID 69290040) is (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide.
What is the SMILES notation for (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide?
The canonical SMILES for (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide is CO[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-methoxyacetamide?
The InChIKey is WLKCEXJKLINIBU-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18F2N2O2/c1-29-22(23(28)27-14-16-9-7-15(13-26)8-10-16)21-19(24)11-18(12-20(21)25)17-5-3-2-4-6-17/h2-12,22H,14H2,1H3,(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide?
(2S)-N-[(4-cyanophenyl)methyl]-2-(2,6-difluoro-4-phenylphenyl)-2-methoxyacetamide has a molecular weight of 392.41 g/mol, XLogP of 4.51, 6 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-methoxyacetamide is sourced from PubChem (CID 69290040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).