N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide

C14H16ClNO2 — CID 91753398

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
SMILESCC(=O)NC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H16ClNO2/c1-10(17)16-14(9-5-4-8-13(14)18)11-6-2-3-7-12(11)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyRRTNLABORIXPCK-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.81
Rot. Bonds2

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide (PubChem CID 91753398) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
PubChem CID91753398
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
SMILESCC(=O)NC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H16ClNO2/c1-10(17)16-14(9-5-4-8-13(14)18)11-6-2-3-7-12(11)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyRRTNLABORIXPCK-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide (CID 91753398) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide is CC(=O)NC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide?
The InChIKey is RRTNLABORIXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(17)16-14(9-5-4-8-13(14)18)11-6-2-3-7-12(11)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide has a molecular weight of 265.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide is sourced from PubChem (CID 91753398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).