2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide

C19H19Cl2NO3 — CID 55326168

IUPAC2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H19Cl2NO3/c1-11(17-8-7-15(20)10-18(17)21)22-19(24)13(3)25-16-6-4-5-14(9-16)12(2)23/h4-11,13H,1-3H3,(H,22,24)
InChIKeyCFAKAKRRVYRUFX-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.84
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide

2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 55326168) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID55326168
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H19Cl2NO3/c1-11(17-8-7-15(20)10-18(17)21)22-19(24)13(3)25-16-6-4-5-14(9-16)12(2)23/h4-11,13H,1-3H3,(H,22,24)
InChIKeyCFAKAKRRVYRUFX-UHFFFAOYSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865460
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7382543
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
(2R)-2-(2-acetamidophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2557949
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
[(2R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783935
[(2R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7476731

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (CID 55326168) is 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is CC(=O)c1cccc(OC(C)C(=O)NC(C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is CFAKAKRRVYRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-11(17-8-7-15(20)10-18(17)21)22-19(24)13(3)25-16-6-4-5-14(9-16)12(2)23/h4-11,13H,1-3H3,(H,22,24).
What are the key properties of 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 380.27 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 55326168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).