3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide

C20H23Cl2NO2 — CID 100601540

IUPAC3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
SMILESCCOc1ccccc1CCCNC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C20H23Cl2NO2/c1-2-25-19-11-4-3-7-15(19)8-6-14-23-20(24)13-12-16-17(21)9-5-10-18(16)22/h3-5,7,9-11H,2,6,8,12-14H2,1H3,(H,23,24)
InChIKeyMPBKQFBTMQXYLM-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.07
Rot. Bonds9

About 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide

3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide (PubChem CID 100601540) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
PubChem CID100601540
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
SMILESCCOc1ccccc1CCCNC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C20H23Cl2NO2/c1-2-25-19-11-4-3-7-15(19)8-6-14-23-20(24)13-12-16-17(21)9-5-10-18(16)22/h3-5,7,9-11H,2,6,8,12-14H2,1H3,(H,23,24)
InChIKeyMPBKQFBTMQXYLM-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.07
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

3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide (CID 100601540) is 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide is CCOc1ccccc1CCCNC(=O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
The InChIKey is MPBKQFBTMQXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-2-25-19-11-4-3-7-15(19)8-6-14-23-20(24)13-12-16-17(21)9-5-10-18(16)22/h3-5,7,9-11H,2,6,8,12-14H2,1H3,(H,23,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide has a molecular weight of 380.32 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 100601540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).