N-(3,4-dichlorophenyl)propanamide

C9H9Cl2NO — CID 4933

IUPACN-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyLFULEKSKNZEWOE-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.34
Rot. Bonds2

About N-(3,4-dichlorophenyl)propanamide

N-(3,4-dichlorophenyl)propanamide (PubChem CID 4933) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)propanamide
PubChem CID4933
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC NameN-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyLFULEKSKNZEWOE-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)propanamide (CID 4933) is N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)propanamide is CCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)propanamide?
The InChIKey is LFULEKSKNZEWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(3,4-dichlorophenyl)propanamide?
N-(3,4-dichlorophenyl)propanamide has a molecular weight of 218.08 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 4933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).