2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide

C18H18Cl3NO2 — CID 46769245

IUPAC2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl3NO2/c1-10(2)12-6-4-5-7-17(12)24-11(3)18(23)22-16-9-14(20)13(19)8-15(16)21/h4-11H,1-3H3,(H,22,23)
InChIKeyMOKHOUZPMZVRHD-UHFFFAOYSA-N
MW386.71 g/mol
LogP6.18
Rot. Bonds5

About 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide

2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 46769245) has the molecular formula C18H18Cl3NO2 and a molecular weight of 386.71 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID46769245
Molecular FormulaC18H18Cl3NO2
Molecular Weight386.71 g/mol
Exact Mass385.04
IUPAC Name2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl3NO2/c1-10(2)12-6-4-5-7-17(12)24-11(3)18(23)22-16-9-14(20)13(19)8-15(16)21/h4-11H,1-3H3,(H,22,23)
InChIKeyMOKHOUZPMZVRHD-UHFFFAOYSA-N
XLogP6.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
ethyl 3-chloro-4-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 99957135
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28569618
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92681030
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 7372209
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
methyl 2-[2-(2,4,5-trichlorophenoxy)propanoylamino]benzoate
CID 4645599

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide (CID 46769245) is 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide is CC(Oc1ccccc1C(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is MOKHOUZPMZVRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO2/c1-10(2)12-6-4-5-7-17(12)24-11(3)18(23)22-16-9-14(20)13(19)8-15(16)21/h4-11H,1-3H3,(H,22,23).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 386.71 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 46769245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).