2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide

C17H13BrF2N2O2 — CID 4844962

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H13BrF2N2O2/c18-15-10-13(20)4-7-16(15)24-11-17(23)22(9-1-8-21)14-5-2-12(19)3-6-14/h2-7,10H,1,9,11H2
InChIKeyDDEQUXUPZNUEFA-UHFFFAOYSA-N
MW395.20 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide (PubChem CID 4844962) has the molecular formula C17H13BrF2N2O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
PubChem CID4844962
Molecular FormulaC17H13BrF2N2O2
Molecular Weight395.20 g/mol
Exact Mass394.01
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H13BrF2N2O2/c18-15-10-13(20)4-7-16(15)24-11-17(23)22(9-1-8-21)14-5-2-12(19)3-6-14/h2-7,10H,1,9,11H2
InChIKeyDDEQUXUPZNUEFA-UHFFFAOYSA-N
XLogP4.05
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 16528122
2-(4-bromo-2-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 2548228
2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
CID 2534824
2-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
2-(2-chloro-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 43036548
2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
CID 112818988
N-(2-cyanoethyl)-2-(2,4-dibromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2485620
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-fluorobenzoate
CID 2640344
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832719
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 16524094
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide (CID 4844962) is 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide is N#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is DDEQUXUPZNUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O2/c18-15-10-13(20)4-7-16(15)24-11-17(23)22(9-1-8-21)14-5-2-12(19)3-6-14/h2-7,10H,1,9,11H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 395.20 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4844962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).