2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide

C13H17Cl2NO2 — CID 94223668

IUPAC2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)9(3)16-13(17)7-18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyJXVJQXOBSAIUCH-VIFPVBQESA-N
MW290.19 g/mol
LogP3.53
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 94223668) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID94223668
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)9(3)16-13(17)7-18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyJXVJQXOBSAIUCH-VIFPVBQESA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-sulfanylpropanoic acid
CID 22217276
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 94223668) is 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide is CC(C)[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is JXVJQXOBSAIUCH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(2)9(3)16-13(17)7-18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 290.19 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 94223668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).