N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane

C16H24ClNO2 — CID 155707646

IUPACN-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
SMILESCC.CCC(=O)CCCc1cccc(NC(C)=O)c1Cl
InChIInChI=1S/C14H18ClNO2.C2H6/c1-3-12(18)8-4-6-11-7-5-9-13(14(11)15)16-10(2)17;1-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,17);1-2H3
InChIKeyYOGCXJLYUFNLKL-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.63
Rot. Bonds6

About N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane

N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane (PubChem CID 155707646) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane.

Molecular Properties

Compound NameN-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
PubChem CID155707646
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
SMILESCC.CCC(=O)CCCc1cccc(NC(C)=O)c1Cl
InChIInChI=1S/C14H18ClNO2.C2H6/c1-3-12(18)8-4-6-11-7-5-9-13(14(11)15)16-10(2)17;1-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,17);1-2H3
InChIKeyYOGCXJLYUFNLKL-UHFFFAOYSA-N
XLogP4.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-butyl-2-chlorophenyl)acetamide
CID 71304494
6-(3-acetamido-2-chlorophenyl)hexanethioic S-acid
CID 157048722
N-[2-chloro-3-(6-oxoheptyl)phenyl]-2-methylpropanamide
CID 155706938
6-(2-iodophenyl)hexan-3-one
CID 11623608
N-[3-(4-amino-4-oxobutyl)-2-chlorophenyl]-2-(methylamino)pentanediamide
CID 155706863
N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen
CID 156860469
S-methyl 6-[2-chloro-3-(2-methylpropanoylamino)phenyl]hexanethioate
CID 156858723
1,11-bis(2,3-dichlorophenyl)undecan-6-one
CID 70291531
ethane;N-(2-propylphenyl)acetamide
CID 142804217
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
CID 176933155
6-(3-chlorophenyl)hexan-3-one
CID 64520537

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane?
The IUPAC name of N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane (CID 155707646) is N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane.
What is the SMILES notation for N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane?
The canonical SMILES for N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane is CC.CCC(=O)CCCc1cccc(NC(C)=O)c1Cl.
What is the InChIKey of N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane?
The InChIKey is YOGCXJLYUFNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2.C2H6/c1-3-12(18)8-4-6-11-7-5-9-13(14(11)15)16-10(2)17;1-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane?
N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane has a molecular weight of 297.83 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane is sourced from PubChem (CID 155707646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).