3-(3,5-dichlorophenyl)propanamide

C9H9Cl2NO — CID 68899922

IUPAC3-(3,5-dichlorophenyl)propanamide
SMILESNC(=O)CCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H2,12,13)
InChIKeyIYVYCOIQGAAIOX-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.41
Rot. Bonds3

About 3-(3,5-dichlorophenyl)propanamide

3-(3,5-dichlorophenyl)propanamide (PubChem CID 68899922) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)propanamide
PubChem CID68899922
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name3-(3,5-dichlorophenyl)propanamide
SMILESNC(=O)CCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H2,12,13)
InChIKeyIYVYCOIQGAAIOX-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-(3,5-dichlorophenyl)propanamide (CID 68899922) is 3-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)propanamide is NC(=O)CCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)propanamide?
The InChIKey is IYVYCOIQGAAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H2,12,13).
What are the key properties of 3-(3,5-dichlorophenyl)propanamide?
3-(3,5-dichlorophenyl)propanamide has a molecular weight of 218.08 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 68899922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).