2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide

C20H18ClFN2O3 — CID 112818988

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H18ClFN2O3/c1-13-10-16(5-6-18(13)21)24(9-3-8-23)20(26)12-27-19-7-4-15(22)11-17(19)14(2)25/h4-7,10-11H,3,9,12H2,1-2H3
InChIKeyAATPXNYIRMVWHD-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.32
Rot. Bonds7

About 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide

2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide (PubChem CID 112818988) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
PubChem CID112818988
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H18ClFN2O3/c1-13-10-16(5-6-18(13)21)24(9-3-8-23)20(26)12-27-19-7-4-15(22)11-17(19)14(2)25/h4-7,10-11H,3,9,12H2,1-2H3
InChIKeyAATPXNYIRMVWHD-UHFFFAOYSA-N
XLogP4.32
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 43036548
2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide
CID 38859069
2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 4844962
N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 52569965
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 16528122
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24572278
2-(2-chloro-4-nitrophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 24569443
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832719
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 46665883
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172524
2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
CID 2534824
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55998694

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide (CID 112818988) is 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide?
The InChIKey is AATPXNYIRMVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c1-13-10-16(5-6-18(13)21)24(9-3-8-23)20(26)12-27-19-7-4-15(22)11-17(19)14(2)25/h4-7,10-11H,3,9,12H2,1-2H3.
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide has a molecular weight of 388.83 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 112818988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).