N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide

C17H17ClFNO3 — CID 133164174

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO3/c1-12(23-14-8-6-13(19)7-9-14)17(21)20-10-11-22-16-5-3-2-4-15(16)18/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyMRSLPENMPZIAOH-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide

N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 133164174) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
PubChem CID133164174
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO3/c1-12(23-14-8-6-13(19)7-9-14)17(21)20-10-11-22-16-5-3-2-4-15(16)18/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyMRSLPENMPZIAOH-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18113570
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide (CID 133164174) is N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is MRSLPENMPZIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-12(23-14-8-6-13(19)7-9-14)17(21)20-10-11-22-16-5-3-2-4-15(16)18/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 337.78 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 133164174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).