3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide

C15H15FN2O3 — CID 174173825

IUPAC3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C=O)cc1OCCc1ccccc1F
InChIInChI=1S/C15H15FN2O3/c1-17-15(20)14-13(8-11(9-19)18-14)21-7-6-10-4-2-3-5-12(10)16/h2-5,8-9,18H,6-7H2,1H3,(H,17,20)
InChIKeySFHFLKBUGHFTRI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.95
Rot. Bonds6

About 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide

3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 174173825) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID174173825
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C=O)cc1OCCc1ccccc1F
InChIInChI=1S/C15H15FN2O3/c1-17-15(20)14-13(8-11(9-19)18-14)21-7-6-10-4-2-3-5-12(10)16/h2-5,8-9,18H,6-7H2,1H3,(H,17,20)
InChIKeySFHFLKBUGHFTRI-UHFFFAOYSA-N
XLogP1.95
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 174173738
4-[2-(4-chloro-2-fluorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 174173793
3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 174173722
5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
CID 141125141
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
CID 143888595
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 6736700
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide (CID 174173825) is 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(C=O)cc1OCCc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is SFHFLKBUGHFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-17-15(20)14-13(8-11(9-19)18-14)21-7-6-10-4-2-3-5-12(10)16/h2-5,8-9,18H,6-7H2,1H3,(H,17,20).
What are the key properties of 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 174173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).