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

C12H15Cl2NO3 — CID 2095997

IUPAC2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyMYHZAQCLPPSENP-QMMMGPOBSA-N
MW292.16 g/mol
LogP2.52
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 2095997) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID2095997
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyMYHZAQCLPPSENP-QMMMGPOBSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
CID 112779251
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 2095997) is 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is MYHZAQCLPPSENP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 292.16 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 2095997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).