N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide

C17H15ClN2O3 — CID 7252194

IUPACN-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C17H15ClN2O3/c1-11-3-5-14(13(18)7-11)20-17(21)10-23-15-6-4-12(9-19)8-16(15)22-2/h3-8H,10H2,1-2H3,(H,20,21)
InChIKeyLNYBTSFCSAHWDR-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.55
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide (PubChem CID 7252194) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
PubChem CID7252194
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C17H15ClN2O3/c1-11-3-5-14(13(18)7-11)20-17(21)10-23-15-6-4-12(9-19)8-16(15)22-2/h3-8H,10H2,1-2H3,(H,20,21)
InChIKeyLNYBTSFCSAHWDR-UHFFFAOYSA-N
XLogP3.55
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16959885
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252185
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2-(4-cyano-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7252101
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide (CID 7252194) is N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
The InChIKey is LNYBTSFCSAHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-3-5-14(13(18)7-11)20-17(21)10-23-15-6-4-12(9-19)8-16(15)22-2/h3-8H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 7252194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).