N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide

C16H13BrN2O2 — CID 60739831

IUPACN-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-14-3-1-2-13(8-14)10-19-16(20)11-21-15-6-4-12(9-18)5-7-15/h1-8H,10-11H2,(H,19,20)
InChIKeyWPLBWYLTEZZRIQ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide

N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide (PubChem CID 60739831) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
PubChem CID60739831
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-14-3-1-2-13(8-14)10-19-16(20)11-21-15-6-4-12(9-18)5-7-15/h1-8H,10-11H2,(H,19,20)
InChIKeyWPLBWYLTEZZRIQ-UHFFFAOYSA-N
XLogP3.02
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
CID 61103319
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112222

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide (CID 60739831) is N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide?
The InChIKey is WPLBWYLTEZZRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-14-3-1-2-13(8-14)10-19-16(20)11-21-15-6-4-12(9-18)5-7-15/h1-8H,10-11H2,(H,19,20).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide?
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide has a molecular weight of 345.20 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 60739831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).