(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide

C16H14Cl3NO2 — CID 7372209

IUPAC(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl3NO2/c1-9-3-5-11(6-4-9)22-10(2)16(21)20-15-8-13(18)12(17)7-14(15)19/h3-8,10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyKXCHMKZKUYGSJT-SNVBAGLBSA-N
MW358.65 g/mol
LogP5.36
Rot. Bonds4

About (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide

(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 7372209) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID7372209
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl3NO2/c1-9-3-5-11(6-4-9)22-10(2)16(21)20-15-8-13(18)12(17)7-14(15)19/h3-8,10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyKXCHMKZKUYGSJT-SNVBAGLBSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.36
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

(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 42905073
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 51166464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide (CID 7372209) is (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is KXCHMKZKUYGSJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-9-3-5-11(6-4-9)22-10(2)16(21)20-15-8-13(18)12(17)7-14(15)19/h3-8,10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 358.65 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 7372209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).