2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C18H16ClFN2O2 — CID 8977275

IUPAC2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C18H16ClFN2O2/c1-2-22(11-14-4-3-5-15(20)8-14)18(23)12-24-17-7-6-13(10-21)9-16(17)19/h3-9H,2,11-12H2,1H3
InChIKeyRUJGFUSITVTORL-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 8977275) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID8977275
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C18H16ClFN2O2/c1-2-22(11-14-4-3-5-15(20)8-14)18(23)12-24-17-7-6-13(10-21)9-16(17)19/h3-9H,2,11-12H2,1H3
InChIKeyRUJGFUSITVTORL-UHFFFAOYSA-N
XLogP3.78
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18202482
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
CID 8976144
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 55397218
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078876
(2-chloro-4-cyanophenyl) 2-(3-fluorophenoxy)acetate
CID 8928410
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 38551566
2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 8977371
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 8977275) is 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is RUJGFUSITVTORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-2-22(11-14-4-3-5-15(20)8-14)18(23)12-24-17-7-6-13(10-21)9-16(17)19/h3-9H,2,11-12H2,1H3.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 346.79 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8977275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).