4-(3,5-dichlorophenyl)butanamide

C10H11Cl2NO — CID 173252326

IUPAC4-(3,5-dichlorophenyl)butanamide
SMILESNC(=O)CCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c11-8-4-7(5-9(12)6-8)2-1-3-10(13)14/h4-6H,1-3H2,(H2,13,14)
InChIKeyHRUASWYOYJTPRR-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.80
Rot. Bonds4

About 4-(3,5-dichlorophenyl)butanamide

4-(3,5-dichlorophenyl)butanamide (PubChem CID 173252326) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)butanamide
PubChem CID173252326
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name4-(3,5-dichlorophenyl)butanamide
SMILESNC(=O)CCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c11-8-4-7(5-9(12)6-8)2-1-3-10(13)14/h4-6H,1-3H2,(H2,13,14)
InChIKeyHRUASWYOYJTPRR-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)butanamide?
The IUPAC name of 4-(3,5-dichlorophenyl)butanamide (CID 173252326) is 4-(3,5-dichlorophenyl)butanamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)butanamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)butanamide is NC(=O)CCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)butanamide?
The InChIKey is HRUASWYOYJTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-8-4-7(5-9(12)6-8)2-1-3-10(13)14/h4-6H,1-3H2,(H2,13,14).
What are the key properties of 4-(3,5-dichlorophenyl)butanamide?
4-(3,5-dichlorophenyl)butanamide has a molecular weight of 232.11 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)butanamide is sourced from PubChem (CID 173252326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).