2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide

C8H11ClN2O — CID 12800072

IUPAC2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1NC(=O)CCl
InChIInChI=1S/C8H11ClN2O/c1-6-3-4-7(2)11(6)10-8(12)5-9/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyVBHAZOCHCHKCNG-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.41
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide

2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 12800072) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID12800072
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1NC(=O)CCl
InChIInChI=1S/C8H11ClN2O/c1-6-3-4-7(2)11(6)10-8(12)5-9/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyVBHAZOCHCHKCNG-UHFFFAOYSA-N
XLogP1.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[(2,5-dimethylpyrrol-1-yl)amino]-6-oxohexanoic acid
CID 79090556
5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide
CID 79101397
4-[(2,5-dimethylpyrrol-1-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 79090946
5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
CID 79089982
2-(2-chlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 43822465
3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide
CID 81080558
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide
CID 79100317
2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 24750157
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-bromo-N-(2,5-dimethylpyrrol-1-yl)-3-methylbutanamide
CID 79101127
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide (CID 12800072) is 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide is Cc1ccc(C)n1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is VBHAZOCHCHKCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6-3-4-7(2)11(6)10-8(12)5-9/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide?
2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 186.64 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 12800072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).