2-(2,5-dichloropyrrol-1-yl)propanamide

C7H8Cl2N2O — CID 23453202

IUPAC2-(2,5-dichloropyrrol-1-yl)propanamide
SMILESCC(C(N)=O)n1c(Cl)ccc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-4(7(10)12)11-5(8)2-3-6(11)9/h2-4H,1H3,(H2,10,12)
InChIKeyDCKZSVKXTZJKPA-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,5-dichloropyrrol-1-yl)propanamide

2-(2,5-dichloropyrrol-1-yl)propanamide (PubChem CID 23453202) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 2-(2,5-dichloropyrrol-1-yl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichloropyrrol-1-yl)propanamide
PubChem CID23453202
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name2-(2,5-dichloropyrrol-1-yl)propanamide
SMILESCC(C(N)=O)n1c(Cl)ccc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-4(7(10)12)11-5(8)2-3-6(11)9/h2-4H,1H3,(H2,10,12)
InChIKeyDCKZSVKXTZJKPA-UHFFFAOYSA-N
XLogP1.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloropyrrol-1-yl)propanamide?
The IUPAC name of 2-(2,5-dichloropyrrol-1-yl)propanamide (CID 23453202) is 2-(2,5-dichloropyrrol-1-yl)propanamide.
What is the SMILES notation for 2-(2,5-dichloropyrrol-1-yl)propanamide?
The canonical SMILES for 2-(2,5-dichloropyrrol-1-yl)propanamide is CC(C(N)=O)n1c(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloropyrrol-1-yl)propanamide?
The InChIKey is DCKZSVKXTZJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-4(7(10)12)11-5(8)2-3-6(11)9/h2-4H,1H3,(H2,10,12).
What are the key properties of 2-(2,5-dichloropyrrol-1-yl)propanamide?
2-(2,5-dichloropyrrol-1-yl)propanamide has a molecular weight of 207.06 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloropyrrol-1-yl)propanamide is sourced from PubChem (CID 23453202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).