2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide

C18H18Cl2FNO2 — CID 71230407

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C18H18Cl2FNO2/c1-12(24-17-9-6-14(19)11-16(17)20)18(23)22-10-2-3-13-4-7-15(21)8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,22,23)
InChIKeyQBRMYMYIRDNBMV-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.65
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide

2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide (PubChem CID 71230407) has the molecular formula C18H18Cl2FNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide
PubChem CID71230407
Molecular FormulaC18H18Cl2FNO2
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C18H18Cl2FNO2/c1-12(24-17-9-6-14(19)11-16(17)20)18(23)22-10-2-3-13-4-7-15(21)8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,22,23)
InChIKeyQBRMYMYIRDNBMV-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
N-(3-chlorobenzyl)-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579802
N-[2-(2-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578621
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
2-(2-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 833323
2-(4-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 835819

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide (CID 71230407) is 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide?
The InChIKey is QBRMYMYIRDNBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO2/c1-12(24-17-9-6-14(19)11-16(17)20)18(23)22-10-2-3-13-4-7-15(21)8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]propanamide has a molecular weight of 370.25 g/mol, XLogP of 4.65, 7 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-[3-(4-fluorophenyl)propyl]propanamide is sourced from PubChem (CID 71230407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).