N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide

C13H15FN2O2 — CID 86859490

IUPACN-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCN(CC#N)C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-3-16(7-6-15)13(17)9-10-4-5-12(18-2)11(14)8-10/h4-5,8H,3,7,9H2,1-2H3
InChIKeySLXDWKJCQPQGJA-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.75
Rot. Bonds5

About N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide

N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 86859490) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID86859490
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCN(CC#N)C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-3-16(7-6-15)13(17)9-10-4-5-12(18-2)11(14)8-10/h4-5,8H,3,7,9H2,1-2H3
InChIKeySLXDWKJCQPQGJA-UHFFFAOYSA-N
XLogP1.75
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 86910321
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 94689354

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 86859490) is N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide is CCN(CC#N)C(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is SLXDWKJCQPQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-16(7-6-15)13(17)9-10-4-5-12(18-2)11(14)8-10/h4-5,8H,3,7,9H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 250.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 86859490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).