N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide

C15H18Cl2N2O2 — CID 11262655

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)
InChIKeyIUOKJNROJISWRO-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.82
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 11262655) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID11262655
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)
InChIKeyIUOKJNROJISWRO-UHFFFAOYSA-N
XLogP3.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)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

(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
CID 7872711
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-diaminophenoxy)propanamide
CID 141161861
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
3-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 64672107
tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 119203778
2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 112786159
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
CID 113219152

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (CID 11262655) is N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C#N)C(C)C.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is IUOKJNROJISWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 329.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 11262655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).