2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide

C13H15BrN2O3 — CID 75436552

IUPAC2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)(C#N)NC(=O)COc1ccccc1Br
InChIInChI=1S/C13H15BrN2O3/c1-13(8-15,9-18-2)16-12(17)7-19-11-6-4-3-5-10(11)14/h3-6H,7,9H2,1-2H3,(H,16,17)
InChIKeyKXSALUKSGHRZEB-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.87
Rot. Bonds6

About 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide

2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide (PubChem CID 75436552) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide
PubChem CID75436552
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)(C#N)NC(=O)COc1ccccc1Br
InChIInChI=1S/C13H15BrN2O3/c1-13(8-15,9-18-2)16-12(17)7-19-11-6-4-3-5-10(11)14/h3-6H,7,9H2,1-2H3,(H,16,17)
InChIKeyKXSALUKSGHRZEB-UHFFFAOYSA-N
XLogP1.87
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424
N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 2632575
2-(2-bromophenoxy)-N-cyclopropylacetamide
CID 7847693
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(2-Bromo-phenoxy)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393654
N-allyl-2-(4-bromophenoxy)acetamide
CID 1591535
2-(4-Bromophenoxy)acetamide
CID 302864
2-(4-Bromophenoxy)-N-(2-(diethylamino)ethyl)ethanimidic acid
CID 217305
(2~{R})-2-(4-bromanylphenoxy)propanamide
CID 974910
2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide
CID 729418
2-(2-bromophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 16282562
N-(1-cyano-2-methoxy-1-methylethyl)-2-phenoxyacetamide
CID 71849706

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide (CID 75436552) is 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide is COCC(C)(C#N)NC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide?
The InChIKey is KXSALUKSGHRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-13(8-15,9-18-2)16-12(17)7-19-11-6-4-3-5-10(11)14/h3-6H,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide?
2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide has a molecular weight of 327.18 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(2-cyano-1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 75436552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).