2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide

C17H16Cl2FNO2 — CID 42989328

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO2/c1-10(12-3-6-14(20)7-4-12)21-17(22)11(2)23-16-8-5-13(18)9-15(16)19/h3-11H,1-2H3,(H,21,22)
InChIKeyIZAVFMUWKJDHIH-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.78
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide

2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 42989328) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID42989328
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO2/c1-10(12-3-6-14(20)7-4-12)21-17(22)11(2)23-16-8-5-13(18)9-15(16)19/h3-11H,1-2H3,(H,21,22)
InChIKeyIZAVFMUWKJDHIH-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626
N-(2-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 11258291
N-(3-chlorobenzyl)-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579802
N-(3-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579840
Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL-
CID 45074
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 695016

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 42989328) is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IZAVFMUWKJDHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c1-10(12-3-6-14(20)7-4-12)21-17(22)11(2)23-16-8-5-13(18)9-15(16)19/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 356.22 g/mol, XLogP of 4.78, 5 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-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 42989328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).