N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide

C17H15ClN2O3 — CID 7893217

IUPACN-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)NCc1ccccc1
InChIInChI=1S/C17H15ClN2O3/c1-22-15-8-13(9-19)7-14(18)17(15)23-11-16(21)20-10-12-5-3-2-4-6-12/h2-8H,10-11H2,1H3,(H,20,21)
InChIKeyNZVPRGBCDDHBON-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.92
Rot. Bonds6

About N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide

N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide (PubChem CID 7893217) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
PubChem CID7893217
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)NCc1ccccc1
InChIInChI=1S/C17H15ClN2O3/c1-22-15-8-13(9-19)7-14(18)17(15)23-11-16(21)20-10-12-5-3-2-4-6-12/h2-8H,10-11H2,1H3,(H,20,21)
InChIKeyNZVPRGBCDDHBON-UHFFFAOYSA-N
XLogP2.92
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7893268
methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
CID 7893243
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371909
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile
CID 7893208
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide
CID 8894164
3-chloro-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid
CID 28898071
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide (CID 7893217) is N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide is COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide?
The InChIKey is NZVPRGBCDDHBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-15-8-13(9-19)7-14(18)17(15)23-11-16(21)20-10-12-5-3-2-4-6-12/h2-8H,10-11H2,1H3,(H,20,21).
What are the key properties of N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide?
N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide has a molecular weight of 330.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 7893217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).