2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide

C14H16ClFN2O2 — CID 63237562

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCC#N)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O2/c1-20-9-8-18(7-3-6-17)14(19)10-11-12(15)4-2-5-13(11)16/h2,4-5H,3,7-10H2,1H3
InChIKeyODSGRMWQXVULTI-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.41
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 63237562) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
PubChem CID63237562
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCC#N)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O2/c1-20-9-8-18(7-3-6-17)14(19)10-11-12(15)4-2-5-13(11)16/h2,4-5H,3,7-10H2,1H3
InChIKeyODSGRMWQXVULTI-UHFFFAOYSA-N
XLogP2.41
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 55169226
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
1-(2-chloro-6-fluorophenyl)-5-methoxypentan-2-one
CID 63023516
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
3-[(2-chloro-3-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 112550307
3-[3-chloro-2-(hydroxymethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 55173059
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
CID 54990812

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide (CID 63237562) is 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide is COCCN(CCC#N)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is ODSGRMWQXVULTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-20-9-8-18(7-3-6-17)14(19)10-11-12(15)4-2-5-13(11)16/h2,4-5H,3,7-10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 298.75 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63237562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).