N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide

C11H14Cl2N2O2 — CID 120508613

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESC[C@@H](CN)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-7(5-14)15-11(16)6-17-10-3-2-8(12)4-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyLBDGSCCEXNZTTE-ZETCQYMHSA-N
MW277.15 g/mol
LogP1.84
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide

N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 120508613) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID120508613
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESC[C@@H](CN)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-7(5-14)15-11(16)6-17-10-3-2-8(12)4-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyLBDGSCCEXNZTTE-ZETCQYMHSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
2-(2,4-dichlorophenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
CID 121127061
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide (CID 120508613) is N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide is C[C@@H](CN)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is LBDGSCCEXNZTTE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7(5-14)15-11(16)6-17-10-3-2-8(12)4-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 277.15 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 120508613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).