3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide

C20H23Cl2NO3 — CID 100603372

IUPAC3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCOc1ccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C20H23Cl2NO3/c1-25-18-10-8-14(13-19(18)26-2)5-4-12-23-20(24)11-9-15-16(21)6-3-7-17(15)22/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3,(H,23,24)
InChIKeyKPONDLKQNBBDQQ-UHFFFAOYSA-N
MW396.31 g/mol
LogP4.69
Rot. Bonds9

About 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide

3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide (PubChem CID 100603372) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
PubChem CID100603372
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCOc1ccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C20H23Cl2NO3/c1-25-18-10-8-14(13-19(18)26-2)5-4-12-23-20(24)11-9-15-16(21)6-3-7-17(15)22/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3,(H,23,24)
InChIKeyKPONDLKQNBBDQQ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
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

3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100603157
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
4-(4-chlorophenyl)sulfanyl-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 95091662
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(2,6-dichlorophenyl)ethyl]butanamide
CID 60566414
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 95091670

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide (CID 100603372) is 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide is COc1ccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The InChIKey is KPONDLKQNBBDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-25-18-10-8-14(13-19(18)26-2)5-4-12-23-20(24)11-9-15-16(21)6-3-7-17(15)22/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3,(H,23,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide has a molecular weight of 396.31 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 100603372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).