1-(2-fluoroethyl)pyrrole-3-carboxamide

C7H9FN2O — CID 154347039

IUPAC1-(2-fluoroethyl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(CCF)c1
InChIInChI=1S/C7H9FN2O/c8-2-4-10-3-1-6(5-10)7(9)11/h1,3,5H,2,4H2,(H2,9,11)
InChIKeyDAMMDLSLOYNFFB-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.56
Rot. Bonds3

About 1-(2-fluoroethyl)pyrrole-3-carboxamide

1-(2-fluoroethyl)pyrrole-3-carboxamide (PubChem CID 154347039) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrrole-3-carboxamide
PubChem CID154347039
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-(2-fluoroethyl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(CCF)c1
InChIInChI=1S/C7H9FN2O/c8-2-4-10-3-1-6(5-10)7(9)11/h1,3,5H,2,4H2,(H2,9,11)
InChIKeyDAMMDLSLOYNFFB-UHFFFAOYSA-N
XLogP0.56
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1H-pyrrole-3-carbaldehyde
CID 3751373
1-tert-Butyl-1H-pyrrole-3-carbaldehyde
CID 6485565
1H-pyrrole-3-carboxamide
CID 19067979
1-(prop-2-yn-1-yl)-1H-pyrrole-3-carbaldehyde
CID 13604945
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
1-cyclobutyl-1H-pyrrole-3-carbaldehyde
CID 155977953
1-(Trifluoromethyl)pyrrole-3-carboxamide
CID 17998073
4-(difluoromethyl)-N,1-dimethylpyrrole-3-carboxamide
CID 60084262
5-fluoro-1H-pyrrole-3-carboxamide
CID 67965401
N-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 68517955
1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 69132530
1H-Pyrrole-3-carbonyl fluoride
CID 119092408

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)pyrrole-3-carboxamide (CID 154347039) is 1-(2-fluoroethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)pyrrole-3-carboxamide is NC(=O)c1ccn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)pyrrole-3-carboxamide?
The InChIKey is DAMMDLSLOYNFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-2-4-10-3-1-6(5-10)7(9)11/h1,3,5H,2,4H2,(H2,9,11).
What are the key properties of 1-(2-fluoroethyl)pyrrole-3-carboxamide?
1-(2-fluoroethyl)pyrrole-3-carboxamide has a molecular weight of 156.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 154347039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).