2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide

C11H11ClN2O2 — CID 114322693

IUPAC2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H11ClN2O2/c1-7(11(15)14-2)16-10-5-9(12)4-3-8(10)6-13/h3-5,7H,1-2H3,(H,14,15)
InChIKeyNTMPRNKRBPHUEX-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.72
Rot. Bonds3

About 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide

2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide (PubChem CID 114322693) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide
PubChem CID114322693
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H11ClN2O2/c1-7(11(15)14-2)16-10-5-9(12)4-3-8(10)6-13/h3-5,7H,1-2H3,(H,14,15)
InChIKeyNTMPRNKRBPHUEX-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

Analyze 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide
CID 114322670
4-chloro-2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 114323738
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 7613626
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7382543
(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738
ethyl 2-(5-chloro-2-cyanophenoxy)pentanoate
CID 83037721
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
2-(5-chloro-2-cyanophenoxy)hexanoic acid
CID 113373499
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
CID 8728164

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide?
The IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide (CID 114322693) is 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide?
The InChIKey is NTMPRNKRBPHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(11(15)14-2)16-10-5-9(12)4-3-8(10)6-13/h3-5,7H,1-2H3,(H,14,15).
What are the key properties of 2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide?
2-(5-chloro-2-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-(5-chloro-2-cyanophenoxy)-N-methylpropanamide is sourced from PubChem (CID 114322693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).