2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide

C19H19FN2O3 — CID 20991177

IUPAC2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)cc1OCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-24-17-7-4-14(9-11-22-19(23)8-10-21)12-18(17)25-13-15-2-5-16(20)6-3-15/h2-7,12H,8-9,11,13H2,1H3,(H,22,23)
InChIKeyKMURNERTSKHXDI-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.99
Rot. Bonds8

About 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide

2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide (PubChem CID 20991177) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
PubChem CID20991177
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)cc1OCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-24-17-7-4-14(9-11-22-19(23)8-10-21)12-18(17)25-13-15-2-5-16(20)6-3-15/h2-7,12H,8-9,11,13H2,1H3,(H,22,23)
InChIKeyKMURNERTSKHXDI-UHFFFAOYSA-N
XLogP2.99
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-cyano-N-[2-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20987479
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
2-cyano-N-[2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide (CID 20991177) is 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide is COc1ccc(CCNC(=O)CC#N)cc1OCc1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide?
The InChIKey is KMURNERTSKHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-24-17-7-4-14(9-11-22-19(23)8-10-21)12-18(17)25-13-15-2-5-16(20)6-3-15/h2-7,12H,8-9,11,13H2,1H3,(H,22,23).
What are the key properties of 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide?
2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 20991177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).