3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide

C12H13ClN2O2 — CID 102724123

IUPAC3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-2-15-12(16)5-6-17-10-4-3-9(8-14)11(13)7-10/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyQQUFPFKGKFITCK-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.12
Rot. Bonds5

About 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide

3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide (PubChem CID 102724123) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
PubChem CID102724123
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-2-15-12(16)5-6-17-10-4-3-9(8-14)11(13)7-10/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyQQUFPFKGKFITCK-UHFFFAOYSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide 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-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
2-chloro-4-decoxybenzonitrile
CID 102724082
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
2-chloro-4-(3-hydroxy-3-methylbutoxy)benzonitrile
CID 102674649
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
CID 102674632
3-(3-chloro-4-cyanophenoxy)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 143036876
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide?
The IUPAC name of 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide (CID 102724123) is 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide.
What is the SMILES notation for 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide?
The canonical SMILES for 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide is CCNC(=O)CCOc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide?
The InChIKey is QQUFPFKGKFITCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-15-12(16)5-6-17-10-4-3-9(8-14)11(13)7-10/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide?
3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide has a molecular weight of 252.70 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 102724123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).