2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide

C11H11ClN2O2 — CID 60667353

IUPAC2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-7(11(15)14-2)16-10-4-3-8(6-13)5-9(10)12/h3-5,7H,1-2H3,(H,14,15)
InChIKeySIUXAIWQEYGKEA-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide

2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide (PubChem CID 60667353) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
PubChem CID60667353
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-7(11(15)14-2)16-10-4-3-8(6-13)5-9(10)12/h3-5,7H,1-2H3,(H,14,15)
InChIKeySIUXAIWQEYGKEA-UHFFFAOYSA-N
XLogP1.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 9384005
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 24500716

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide (CID 60667353) is 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide?
The InChIKey is SIUXAIWQEYGKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(11(15)14-2)16-10-4-3-8(6-13)5-9(10)12/h3-5,7H,1-2H3,(H,14,15).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide?
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide has a molecular weight of 238.67 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide is sourced from PubChem (CID 60667353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).