(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide

C17H14Cl3NO3 — CID 7763805

IUPAC(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl3NO3/c1-9(22)11-3-5-13(6-4-11)24-10(2)17(23)21-16-14(19)7-12(18)8-15(16)20/h3-8,10H,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyIMBBWXJNEHPOEX-SNVBAGLBSA-N
MW386.66 g/mol
LogP5.26
Rot. Bonds5

About (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide

(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide (PubChem CID 7763805) has the molecular formula C17H14Cl3NO3 and a molecular weight of 386.66 g/mol. Its IUPAC name is (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
PubChem CID7763805
Molecular FormulaC17H14Cl3NO3
Molecular Weight386.66 g/mol
Exact Mass385.00
IUPAC Name(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl3NO3/c1-9(22)11-3-5-13(6-4-11)24-10(2)17(23)21-16-14(19)7-12(18)8-15(16)20/h3-8,10H,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyIMBBWXJNEHPOEX-SNVBAGLBSA-N
XLogP5.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 7816817
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
CID 5084761
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide (CID 7763805) is (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide is CC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The InChIKey is IMBBWXJNEHPOEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14Cl3NO3/c1-9(22)11-3-5-13(6-4-11)24-10(2)17(23)21-16-14(19)7-12(18)8-15(16)20/h3-8,10H,1-2H3,(H,21,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide has a molecular weight of 386.66 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide is sourced from PubChem (CID 7763805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).