N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide

C18H17BrN2O3 — CID 19617618

IUPACN-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)c(Br)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-2-23-16-8-14(10-20)15(19)9-17(16)24-12-18(22)21-11-13-6-4-3-5-7-13/h3-9H,2,11-12H2,1H3,(H,21,22)
InChIKeyULOQRMMMSXFYDY-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.41
Rot. Bonds7

About N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide

N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide (PubChem CID 19617618) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
PubChem CID19617618
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC NameN-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)c(Br)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-2-23-16-8-14(10-20)15(19)9-17(16)24-12-18(22)21-11-13-6-4-3-5-7-13/h3-9H,2,11-12H2,1H3,(H,21,22)
InChIKeyULOQRMMMSXFYDY-UHFFFAOYSA-N
XLogP3.41
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetate
CID 19622654
N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383375
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
2-(5-amino-2-bromophenoxy)-N-benzylacetamide
CID 103009111
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide (CID 19617618) is N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide is CCOc1cc(C#N)c(Br)cc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide?
The InChIKey is ULOQRMMMSXFYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-2-23-16-8-14(10-20)15(19)9-17(16)24-12-18(22)21-11-13-6-4-3-5-7-13/h3-9H,2,11-12H2,1H3,(H,21,22).
What are the key properties of N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide?
N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide has a molecular weight of 389.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 19617618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).