N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide

C16H13BrN2O2 — CID 7382555

IUPACN-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C#N)cc1Br
InChIInChI=1S/C16H13BrN2O2/c1-11-6-7-13(8-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20)
InChIKeyIVMSEHFJVRRLFJ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.65
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide

N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide (PubChem CID 7382555) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
PubChem CID7382555
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C#N)cc1Br
InChIInChI=1S/C16H13BrN2O2/c1-11-6-7-13(8-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20)
InChIKeyIVMSEHFJVRRLFJ-UHFFFAOYSA-N
XLogP3.65
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 8874271
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 78779251
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
CID 7818077
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide (CID 7382555) is N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccccc2C#N)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is IVMSEHFJVRRLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11-6-7-13(8-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide?
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 345.20 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 7382555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).