N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide

C17H15ClN2O2 — CID 2103781

IUPACN-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1C
InChIInChI=1S/C17H15ClN2O2/c1-11-3-6-15(7-12(11)2)22-10-17(21)20-14-5-4-13(9-19)16(18)8-14/h3-8H,10H2,1-2H3,(H,20,21)
InChIKeyLFBKSRJSBBHRJQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.85
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide

N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 2103781) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID2103781
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1C
InChIInChI=1S/C17H15ClN2O2/c1-11-3-6-15(7-12(11)2)22-10-17(21)20-14-5-4-13(9-19)16(18)8-14/h3-8H,10H2,1-2H3,(H,20,21)
InChIKeyLFBKSRJSBBHRJQ-UHFFFAOYSA-N
XLogP3.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8922452
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
2-(3-chloro-4-cyanophenoxy)-N-(3-chlorophenyl)acetamide
CID 102674501
2-(9H-carbazol-2-yloxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 7714260
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
1-(3-chloro-4-methylphenyl)-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]thiourea
CID 8655021
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923798

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide (CID 2103781) is N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1C.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is LFBKSRJSBBHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-3-6-15(7-12(11)2)22-10-17(21)20-14-5-4-13(9-19)16(18)8-14/h3-8H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 314.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 2103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).