N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide

C13H10F2N2O2 — CID 71821982

IUPACN-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide
SMILESO=Cc1cccn1CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-3-4-11(15)12(6-9)16-13(19)7-17-5-1-2-10(17)8-18/h1-6,8H,7H2,(H,16,19)
InChIKeyRAPFQCGQUHHDCR-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.22
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide

N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide (PubChem CID 71821982) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide
PubChem CID71821982
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC NameN-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide
SMILESO=Cc1cccn1CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-3-4-11(15)12(6-9)16-13(19)7-17-5-1-2-10(17)8-18/h1-6,8H,7H2,(H,16,19)
InChIKeyRAPFQCGQUHHDCR-UHFFFAOYSA-N
XLogP2.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
N-(2,4-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71683654
N-ethyl-2-(2-formylpyrrol-1-yl)acetamide
CID 66410312
N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 82030896
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
1-[2-oxo-2-(2,4,5-trifluoroanilino)ethyl]pyrrole-2-carboxylic acid
CID 79324400
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
N-(2,5-difluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956850
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide
CID 100901426
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide (CID 71821982) is N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide is O=Cc1cccn1CC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The InChIKey is RAPFQCGQUHHDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-3-4-11(15)12(6-9)16-13(19)7-17-5-1-2-10(17)8-18/h1-6,8H,7H2,(H,16,19).
What are the key properties of N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide?
N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide has a molecular weight of 264.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide is sourced from PubChem (CID 71821982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).