N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide

C15H9Cl2F4NO2 — CID 5077504

IUPACN-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCC(Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2F4NO2/c1-6(15(23)22-11-4-7(16)2-3-8(11)17)24-14-12(20)9(18)5-10(19)13(14)21/h2-6H,1H3,(H,22,23)
InChIKeyATMBZNDIDAGMTF-UHFFFAOYSA-N
MW382.14 g/mol
LogP4.96
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide

N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide (PubChem CID 5077504) has the molecular formula C15H9Cl2F4NO2 and a molecular weight of 382.14 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
PubChem CID5077504
Molecular FormulaC15H9Cl2F4NO2
Molecular Weight382.14 g/mol
Exact Mass380.99
IUPAC NameN-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCC(Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2F4NO2/c1-6(15(23)22-11-4-7(16)2-3-8(11)17)24-14-12(20)9(18)5-10(19)13(14)21/h2-6H,1H3,(H,22,23)
InChIKeyATMBZNDIDAGMTF-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 54.96
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

(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529440
(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762826
(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 1225337
(2R)-N-(2,5-dichlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967861

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide (CID 5077504) is N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide is CC(Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The InChIKey is ATMBZNDIDAGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F4NO2/c1-6(15(23)22-11-4-7(16)2-3-8(11)17)24-14-12(20)9(18)5-10(19)13(14)21/h2-6H,1H3,(H,22,23).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide has a molecular weight of 382.14 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide is sourced from PubChem (CID 5077504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).