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

C21H25Cl2NO2 — CID 100596903

IUPAC3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
SMILESCCCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c1-2-14-26-20-8-4-3-6-17(20)7-5-13-24-21(25)12-10-16-9-11-18(22)19(23)15-16/h3-4,6,8-9,11,15H,2,5,7,10,12-14H2,1H3,(H,24,25)
InChIKeyIBHKZCMYEMDCNA-UHFFFAOYSA-N
MW394.34 g/mol
LogP5.46
Rot. Bonds10

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

3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide (PubChem CID 100596903) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
PubChem CID100596903
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC Name3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
SMILESCCCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c1-2-14-26-20-8-4-3-6-17(20)7-5-13-24-21(25)12-10-16-9-11-18(22)19(23)15-16/h3-4,6,8-9,11,15H,2,5,7,10,12-14H2,1H3,(H,24,25)
InChIKeyIBHKZCMYEMDCNA-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.34
LogP ≤ 55.46
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-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
CID 84613813
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100586083
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
CID 100597497
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide (CID 100596903) is 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide is CCCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide?
The InChIKey is IBHKZCMYEMDCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c1-2-14-26-20-8-4-3-6-17(20)7-5-13-24-21(25)12-10-16-9-11-18(22)19(23)15-16/h3-4,6,8-9,11,15H,2,5,7,10,12-14H2,1H3,(H,24,25).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide?
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide has a molecular weight of 394.34 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide is sourced from PubChem (CID 100596903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).