2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C15H8Cl2F5NO2 — CID 4249290

IUPAC2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8Cl2F5NO2/c1-5(25-8-3-2-6(16)4-7(8)17)15(24)23-14-12(21)10(19)9(18)11(20)13(14)22/h2-5H,1H3,(H,23,24)
InChIKeyCZDAVDVPNKNADL-UHFFFAOYSA-N
MW400.13 g/mol
LogP5.09
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 4249290) has the molecular formula C15H8Cl2F5NO2 and a molecular weight of 400.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID4249290
Molecular FormulaC15H8Cl2F5NO2
Molecular Weight400.13 g/mol
Exact Mass398.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8Cl2F5NO2/c1-5(25-8-3-2-6(16)4-7(8)17)15(24)23-14-12(21)10(19)9(18)11(20)13(14)22/h2-5H,1H3,(H,23,24)
InChIKeyCZDAVDVPNKNADL-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.13
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 4249290) is 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is CZDAVDVPNKNADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F5NO2/c1-5(25-8-3-2-6(16)4-7(8)17)15(24)23-14-12(21)10(19)9(18)11(20)13(14)22/h2-5H,1H3,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 400.13 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 4249290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).