2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide

C14H16ClNO3 — CID 113389862

IUPAC2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C14H16ClNO3/c1-8(17)10-3-6-13(12(15)7-10)19-9(2)14(18)16-11-4-5-11/h3,6-7,9,11H,4-5H2,1-2H3,(H,16,18)
InChIKeyKKSCPJMNOLWVGJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide

2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide (PubChem CID 113389862) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
PubChem CID113389862
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C14H16ClNO3/c1-8(17)10-3-6-13(12(15)7-10)19-9(2)14(18)16-11-4-5-11/h3,6-7,9,11H,4-5H2,1-2H3,(H,16,18)
InChIKeyKKSCPJMNOLWVGJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
CID 55783367
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide (CID 113389862) is 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide is CC(=O)c1ccc(OC(C)C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide?
The InChIKey is KKSCPJMNOLWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-8(17)10-3-6-13(12(15)7-10)19-9(2)14(18)16-11-4-5-11/h3,6-7,9,11H,4-5H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide?
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide has a molecular weight of 281.74 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 113389862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).