4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide

C25H23Cl3N2O3 — CID 4055432

IUPAC4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H23Cl3N2O3/c1-4-16-7-5-6-14(2)22(16)29-24(31)15(3)33-19-10-8-17(9-11-19)25(32)30-23-20(27)12-18(26)13-21(23)28/h5-13,15H,4H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyFBWHONGZPJXDMU-UHFFFAOYSA-N
MW505.83 g/mol
LogP7.18
Rot. Bonds7

About 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide

4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 4055432) has the molecular formula C25H23Cl3N2O3 and a molecular weight of 505.83 g/mol. Its IUPAC name is 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID4055432
Molecular FormulaC25H23Cl3N2O3
Molecular Weight505.83 g/mol
Exact Mass504.08
IUPAC Name4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H23Cl3N2O3/c1-4-16-7-5-6-14(2)22(16)29-24(31)15(3)33-19-10-8-17(9-11-19)25(32)30-23-20(27)12-18(26)13-21(23)28/h5-13,15H,4H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyFBWHONGZPJXDMU-UHFFFAOYSA-N
XLogP7.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 44637774
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 7709692
(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 7763805
(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
CID 5084761
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 40771361

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide (CID 4055432) is 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide is CCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is FBWHONGZPJXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O3/c1-4-16-7-5-6-14(2)22(16)29-24(31)15(3)33-19-10-8-17(9-11-19)25(32)30-23-20(27)12-18(26)13-21(23)28/h5-13,15H,4H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 505.83 g/mol, XLogP of 7.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 4055432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).