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

C15H10Cl2N2O2 — CID 79031984

IUPAC2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
SMILESN#Cc1c(Cl)cccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2/c16-10-4-6-11(7-5-10)19-15(20)9-21-14-3-1-2-13(17)12(14)8-18/h1-7H,9H2,(H,19,20)
InChIKeySPQBCZVKMVOQIU-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.88
Rot. Bonds4

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

2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide (PubChem CID 79031984) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
PubChem CID79031984
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
SMILESN#Cc1c(Cl)cccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2/c16-10-4-6-11(7-5-10)19-15(20)9-21-14-3-1-2-13(17)12(14)8-18/h1-7H,9H2,(H,19,20)
InChIKeySPQBCZVKMVOQIU-UHFFFAOYSA-N
XLogP3.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323687
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
CID 78975129

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide (CID 79031984) is 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide is N#Cc1c(Cl)cccc1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide?
The InChIKey is SPQBCZVKMVOQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-10-4-6-11(7-5-10)19-15(20)9-21-14-3-1-2-13(17)12(14)8-18/h1-7H,9H2,(H,19,20).
What are the key properties of 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide?
2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide has a molecular weight of 321.16 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 79031984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).