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

C15H18Cl2N2O2 — CID 69117064

IUPAC(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(C)C(C)(C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
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)/t10-,15?/m0/s1
InChIKeyIUOKJNROJISWRO-MYHCZTBNSA-N
MW329.23 g/mol
LogP3.82
Rot. Bonds5

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

(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 69117064) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID69117064
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(C)C(C)(C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
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)/t10-,15?/m0/s1
InChIKeyIUOKJNROJISWRO-MYHCZTBNSA-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

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 4995082
2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 5020355
2-(2,4-dichlorophenoxy)-N-ethylpropanamide
CID 2912929
Fenoxanil
CID 11262655
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide
CID 2862042
N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2208998
4-(2,4-dichlorophenoxy)-N-(2-hydroxy-1,1-dimethylethyl)butanamide
CID 2244633
2-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2912401
N-(tert-butylcarbamoylcarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 12105109

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (CID 69117064) is (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is CC(C)C(C)(C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is IUOKJNROJISWRO-MYHCZTBNSA-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)/t10-,15?/m0/s1.
What are the key properties of (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
(2S)-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 (2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 69117064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).