N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane

C12H18ClNO — CID 156737682

IUPACN-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
SMILESCC.CC(=O)Nc1c(C)cc(Cl)cc1C
InChIInChI=1S/C10H12ClNO.C2H6/c1-6-4-9(11)5-7(2)10(6)12-8(3)13;1-2/h4-5H,1-3H3,(H,12,13);1-2H3
InChIKeyAWMNRTRKVYCUGL-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.94
Rot. Bonds1

About N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane

N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane (PubChem CID 156737682) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane.

Molecular Properties

Compound NameN-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
PubChem CID156737682
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
SMILESCC.CC(=O)Nc1c(C)cc(Cl)cc1C
InChIInChI=1S/C10H12ClNO.C2H6/c1-6-4-9(11)5-7(2)10(6)12-8(3)13;1-2/h4-5H,1-3H3,(H,12,13);1-2H3
InChIKeyAWMNRTRKVYCUGL-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]acetamide
CID 168944592
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium
CID 159771868
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 160515011
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653033
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
(4-chloro-2,6-dimethylphenyl)hydrazine
CID 170985099
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane?
The IUPAC name of N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane (CID 156737682) is N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane.
What is the SMILES notation for N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane?
The canonical SMILES for N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane is CC.CC(=O)Nc1c(C)cc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane?
The InChIKey is AWMNRTRKVYCUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.C2H6/c1-6-4-9(11)5-7(2)10(6)12-8(3)13;1-2/h4-5H,1-3H3,(H,12,13);1-2H3.
What are the key properties of N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane?
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane has a molecular weight of 227.73 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane is sourced from PubChem (CID 156737682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).