N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

C21H15BrN2O2 — CID 3473577

IUPACN-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C21H15BrN2O2/c22-18-7-9-19(10-8-18)24-21(25)14-26-20-11-5-17(6-12-20)16-3-1-15(13-23)2-4-16/h1-12H,14H2,(H,24,25)
InChIKeyDCSIWJJODLTRKH-UHFFFAOYSA-N
MW407.27 g/mol
LogP5.01
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 3473577) has the molecular formula C21H15BrN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID3473577
Molecular FormulaC21H15BrN2O2
Molecular Weight407.27 g/mol
Exact Mass406.03
IUPAC NameN-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C21H15BrN2O2/c22-18-7-9-19(10-8-18)24-21(25)14-26-20-11-5-17(6-12-20)16-3-1-15(13-23)2-4-16/h1-12H,14H2,(H,24,25)
InChIKeyDCSIWJJODLTRKH-UHFFFAOYSA-N
XLogP5.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.27
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
2-(4-bromophenoxy)-N-[(4-cyanophenyl)carbamothioyl]acetamide
CID 3340919
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 3473577) is N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is DCSIWJJODLTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O2/c22-18-7-9-19(10-8-18)24-21(25)14-26-20-11-5-17(6-12-20)16-3-1-15(13-23)2-4-16/h1-12H,14H2,(H,24,25).
What are the key properties of N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 407.27 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 3473577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).