2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide

C20H23Cl2NO3 — CID 99993692

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H23Cl2NO3/c1-14(2)26-17-8-5-15(6-9-17)4-3-11-23-20(24)13-25-19-10-7-16(21)12-18(19)22/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,24)
InChIKeyQLDCAEFBTRNPOM-UHFFFAOYSA-N
MW396.31 g/mol
LogP4.91
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide

2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 99993692) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID99993692
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H23Cl2NO3/c1-14(2)26-17-8-5-15(6-9-17)4-3-11-23-20(24)13-25-19-10-7-16(21)12-18(19)22/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,24)
InChIKeyQLDCAEFBTRNPOM-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.91
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-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide
CID 108539886
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
2-(2,4-dichlorophenoxy)-N-[3-(4-morpholin-4-ylphenyl)propyl]acetamide
CID 16890044
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (CID 99993692) is 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is QLDCAEFBTRNPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-14(2)26-17-8-5-15(6-9-17)4-3-11-23-20(24)13-25-19-10-7-16(21)12-18(19)22/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 396.31 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 99993692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).