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

C12H15Cl2NO2 — CID 95168672

IUPACN-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
SMILESCC[C@H](C)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-8(2)15-12(16)7-17-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyBQOYQKCSZJZZGV-QMMMGPOBSA-N
MW276.16 g/mol
LogP3.29
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide (PubChem CID 95168672) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
PubChem CID95168672
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
SMILESCC[C@H](C)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-8(2)15-12(16)7-17-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyBQOYQKCSZJZZGV-QMMMGPOBSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3,4-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43360889
2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
CID 102723806
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
methyl 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-methylbutanoate
CID 43423967
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide (CID 95168672) is N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide is CC[C@H](C)NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide?
The InChIKey is BQOYQKCSZJZZGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-8(2)15-12(16)7-17-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide?
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide has a molecular weight of 276.16 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 95168672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).