N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide

C14H20Cl2N2O2 — CID 119585484

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
SMILESCC(C)CC(CN)NC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-9(2)5-11(7-17)18-14(19)8-20-13-6-10(15)3-4-12(13)16/h3-4,6,9,11H,5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyDUAHBGMNIBHQIB-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.86
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 119585484) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
PubChem CID119585484
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
SMILESCC(C)CC(CN)NC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-9(2)5-11(7-17)18-14(19)8-20-13-6-10(15)3-4-12(13)16/h3-4,6,9,11H,5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyDUAHBGMNIBHQIB-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
CID 119587183
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 46419385
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide (CID 119585484) is N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide is CC(C)CC(CN)NC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is DUAHBGMNIBHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-9(2)5-11(7-17)18-14(19)8-20-13-6-10(15)3-4-12(13)16/h3-4,6,9,11H,5,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 319.23 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 119585484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).