3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide

C14H16ClNO3 — CID 62628472

IUPAC3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(Cl)ccc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H16ClNO3/c1-9(17)12-8-10(15)2-5-13(12)19-7-6-14(18)16-11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H,16,18)
InChIKeyWJOQRBGWQJCGGA-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.59
Rot. Bonds6

About 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide

3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide (PubChem CID 62628472) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
PubChem CID62628472
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(Cl)ccc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H16ClNO3/c1-9(17)12-8-10(15)2-5-13(12)19-7-6-14(18)16-11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H,16,18)
InChIKeyWJOQRBGWQJCGGA-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
2-(2-acetyl-4-chlorophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 7167631
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
1-[5-chloro-2-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115646908
2-[3-(cyclopropylamino)-3-oxopropoxy]-5-nitrobenzoic acid
CID 62628474

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide (CID 62628472) is 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide is CC(=O)c1cc(Cl)ccc1OCCC(=O)NC1CC1.
What is the InChIKey of 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide?
The InChIKey is WJOQRBGWQJCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9(17)12-8-10(15)2-5-13(12)19-7-6-14(18)16-11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H,16,18).
What are the key properties of 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide?
3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide has a molecular weight of 281.74 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 62628472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).