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

C18H18Cl2FNO2 — CID 71230075

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H18Cl2FNO2/c1-3-16(12-4-7-14(21)8-5-12)22-18(23)11(2)24-17-9-6-13(19)10-15(17)20/h4-11,16H,3H2,1-2H3,(H,22,23)
InChIKeyXMKGJJDWZVKHBI-UHFFFAOYSA-N
MW370.25 g/mol
LogP5.17
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide (PubChem CID 71230075) has the molecular formula C18H18Cl2FNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide
PubChem CID71230075
Molecular FormulaC18H18Cl2FNO2
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H18Cl2FNO2/c1-3-16(12-4-7-14(21)8-5-12)22-18(23)11(2)24-17-9-6-13(19)10-15(17)20/h4-11,16H,3H2,1-2H3,(H,22,23)
InChIKeyXMKGJJDWZVKHBI-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 55.17
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)propyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide (CID 71230075) is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide is CCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide?
The InChIKey is XMKGJJDWZVKHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO2/c1-3-16(12-4-7-14(21)8-5-12)22-18(23)11(2)24-17-9-6-13(19)10-15(17)20/h4-11,16H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide has a molecular weight of 370.25 g/mol, XLogP of 5.17, 6 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)propyl]propanamide is sourced from PubChem (CID 71230075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).