N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide

C18H14ClN3O2 — CID 2469813

IUPACN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide
SMILESN#CCCN(C(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O2/c19-15-3-1-4-16(11-15)22(10-2-9-20)18(23)13-24-17-7-5-14(12-21)6-8-17/h1,3-8,11H,2,10,13H2
InChIKeyHFDRSERJSVFQNA-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.54
Rot. Bonds6

About N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide

N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 2469813) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide
PubChem CID2469813
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide
SMILESN#CCCN(C(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O2/c19-15-3-1-4-16(11-15)22(10-2-9-20)18(23)13-24-17-7-5-14(12-21)6-8-17/h1,3-8,11H,2,10,13H2
InChIKeyHFDRSERJSVFQNA-UHFFFAOYSA-N
XLogP3.54
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 29357817
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 43051020
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846208
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812962
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
methyl 4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoate
CID 51172550
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 41215375
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55502060
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328115
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307078
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629374

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide (CID 2469813) is N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide is N#CCCN(C(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is HFDRSERJSVFQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-3-1-4-16(11-15)22(10-2-9-20)18(23)13-24-17-7-5-14(12-21)6-8-17/h1,3-8,11H,2,10,13H2.
What are the key properties of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide?
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 339.78 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 2469813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).