N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane

C16H26ClNO — CID 145387733

IUPACN-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1c(C(C)C)ccc(Cl)c1C(C)C
InChIInChI=1S/C14H20ClNO.C2H6/c1-8(2)11-6-7-12(15)13(9(3)4)14(11)16-10(5)17;1-2/h6-9H,1-5H3,(H,16,17);1-2H3
InChIKeyMGOTUMOEYPAAET-UHFFFAOYSA-N
MW283.84 g/mol
LogP5.57
Rot. Bonds3

About N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane

N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane (PubChem CID 145387733) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane.

Molecular Properties

Compound NameN-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
PubChem CID145387733
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1c(C(C)C)ccc(Cl)c1C(C)C
InChIInChI=1S/C14H20ClNO.C2H6/c1-8(2)11-6-7-12(15)13(9(3)4)14(11)16-10(5)17;1-2/h6-9H,1-5H3,(H,16,17);1-2H3
InChIKeyMGOTUMOEYPAAET-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.84
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
CID 155737833
3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline
CID 58029390
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
CID 168959540
N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide
CID 167302174
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
(3-chloro-2-propan-2-ylphenyl)carbamic acid
CID 22078489
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585
N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 67447227

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane?
The IUPAC name of N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane (CID 145387733) is N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane.
What is the SMILES notation for N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane?
The canonical SMILES for N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane is CC.CC(=O)Nc1c(C(C)C)ccc(Cl)c1C(C)C.
What is the InChIKey of N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane?
The InChIKey is MGOTUMOEYPAAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.C2H6/c1-8(2)11-6-7-12(15)13(9(3)4)14(11)16-10(5)17;1-2/h6-9H,1-5H3,(H,16,17);1-2H3.
What are the key properties of N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane?
N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane has a molecular weight of 283.84 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane is sourced from PubChem (CID 145387733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).