N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide

C17H15FN2O2 — CID 86926437

IUPACN-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cccc(C#N)c2)cc1F
InChIInChI=1S/C17H15FN2O2/c1-22-16-6-5-12(8-15(16)18)9-17(21)20-11-14-4-2-3-13(7-14)10-19/h2-8H,9,11H2,1H3,(H,20,21)
InChIKeyBJEBZNDDLYCPEE-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.56
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide

N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 86926437) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID86926437
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cccc(C#N)c2)cc1F
InChIInChI=1S/C17H15FN2O2/c1-22-16-6-5-12(8-15(16)18)9-17(21)20-11-14-4-2-3-13(7-14)10-19/h2-8H,9,11H2,1H3,(H,20,21)
InChIKeyBJEBZNDDLYCPEE-UHFFFAOYSA-N
XLogP2.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
3-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380602
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 86926437) is N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2cccc(C#N)c2)cc1F.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is BJEBZNDDLYCPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-16-6-5-12(8-15(16)18)9-17(21)20-11-14-4-2-3-13(7-14)10-19/h2-8H,9,11H2,1H3,(H,20,21).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 86926437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).