4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide

C16H19FN2O3 — CID 75451638

IUPAC4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCCCOCCO)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c17-13-4-2-12(3-5-13)14-10-18-11-15(14)16(21)19-6-1-8-22-9-7-20/h2-5,10-11,18,20H,1,6-9H2,(H,19,21)
InChIKeyXYNYHDMJSHBUDJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.95
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 75451638) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide
PubChem CID75451638
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCCCOCCO)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c17-13-4-2-12(3-5-13)14-10-18-11-15(14)16(21)19-6-1-8-22-9-7-20/h2-5,10-11,18,20H,1,6-9H2,(H,19,21)
InChIKeyXYNYHDMJSHBUDJ-UHFFFAOYSA-N
XLogP1.95
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide
CID 111462962
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
5-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86979261
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
4,5-difluoro-N-[3-(2-hydroxyethoxy)propyl]-2-nitrobenzamide
CID 106305762
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide (CID 75451638) is 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide is O=C(NCCCOCCO)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is XYNYHDMJSHBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-13-4-2-12(3-5-13)14-10-18-11-15(14)16(21)19-6-1-8-22-9-7-20/h2-5,10-11,18,20H,1,6-9H2,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75451638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).