2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide

C22H17BrN2O3 — CID 39501061

IUPAC2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C22H17BrN2O3/c23-18-7-9-20(10-8-18)28-15-22(26)25-19-5-2-6-21(12-19)27-14-17-4-1-3-16(11-17)13-24/h1-12H,14-15H2,(H,25,26)
InChIKeyREWSBTBOPRKFPW-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.92
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide

2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide (PubChem CID 39501061) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
PubChem CID39501061
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC Name2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C22H17BrN2O3/c23-18-7-9-20(10-8-18)28-15-22(26)25-19-5-2-6-21(12-19)27-14-17-4-1-3-16(11-17)13-24/h1-12H,14-15H2,(H,25,26)
InChIKeyREWSBTBOPRKFPW-UHFFFAOYSA-N
XLogP4.92
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55689140
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
2-(4-bromophenoxy)-N-[(3-cyanophenyl)carbamothioyl]acetamide
CID 3342561
5-bromo-N-[2-[3-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55837910
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide (CID 39501061) is 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide is N#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Br)cc3)c2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The InChIKey is REWSBTBOPRKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c23-18-7-9-20(10-8-18)28-15-22(26)25-19-5-2-6-21(12-19)27-14-17-4-1-3-16(11-17)13-24/h1-12H,14-15H2,(H,25,26).
What are the key properties of 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide has a molecular weight of 437.29 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 39501061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).