N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide

C14H16Cl2N2O2 — CID 139601284

IUPACN-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
SMILESCCC(C#N)NC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-4-10(7-17)18-14(19)9(3)20-12-6-5-11(15)8(2)13(12)16/h5-6,9-10H,4H2,1-3H3,(H,18,19)
InChIKeySJFJCYZEDBXQFY-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.49
Rot. Bonds5

About N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide

N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide (PubChem CID 139601284) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
PubChem CID139601284
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
SMILESCCC(C#N)NC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-4-10(7-17)18-14(19)9(3)20-12-6-5-11(15)8(2)13(12)16/h5-6,9-10H,4H2,1-3H3,(H,18,19)
InChIKeySJFJCYZEDBXQFY-UHFFFAOYSA-N
XLogP3.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide 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

ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
CID 14721691
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
2-(2,4-dichloro-3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 15917901
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
CID 83145925
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
The IUPAC name of N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide (CID 139601284) is N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide.
What is the SMILES notation for N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
The canonical SMILES for N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide is CCC(C#N)NC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl.
What is the InChIKey of N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
The InChIKey is SJFJCYZEDBXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-4-10(7-17)18-14(19)9(3)20-12-6-5-11(15)8(2)13(12)16/h5-6,9-10H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide has a molecular weight of 315.20 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 139601284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).