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

C21H25Cl2NO2 — CID 100603157

IUPAC3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1cccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c1-15(2)26-17-8-3-6-16(14-17)7-5-13-24-21(25)12-11-18-19(22)9-4-10-20(18)23/h3-4,6,8-10,14-15H,5,7,11-13H2,1-2H3,(H,24,25)
InChIKeyYEAUCJKUQUJXDX-UHFFFAOYSA-N
MW394.34 g/mol
LogP5.46
Rot. Bonds9

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

3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 100603157) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID100603157
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC Name3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1cccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c1-15(2)26-17-8-3-6-16(14-17)7-5-13-24-21(25)12-11-18-19(22)9-4-10-20(18)23/h3-4,6,8-10,14-15H,5,7,11-13H2,1-2H3,(H,24,25)
InChIKeyYEAUCJKUQUJXDX-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100720745
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30245426
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30200408
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
methyl 2-chloro-5-[3-(3-propan-2-yloxyphenyl)propylcarbamothioylamino]benzoate
CID 100680536
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide (CID 100603157) is 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide is CC(C)Oc1cccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is YEAUCJKUQUJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c1-15(2)26-17-8-3-6-16(14-17)7-5-13-24-21(25)12-11-18-19(22)9-4-10-20(18)23/h3-4,6,8-10,14-15H,5,7,11-13H2,1-2H3,(H,24,25).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 394.34 g/mol, XLogP of 5.46, 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-(3-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 100603157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).