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

C15H15FN2O3 — CID 174203087

IUPAC3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C=O)cc1OC(C)c1ccccc1F
InChIInChI=1S/C15H15FN2O3/c1-9(11-5-3-4-6-12(11)16)21-13-7-10(8-19)18-14(13)15(20)17-2/h3-9,18H,1-2H3,(H,17,20)
InChIKeyLEGKWJFATCTETC-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.47
Rot. Bonds5

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

3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 174203087) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID174203087
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C=O)cc1OC(C)c1ccccc1F
InChIInChI=1S/C15H15FN2O3/c1-9(11-5-3-4-6-12(11)16)21-13-7-10(8-19)18-14(13)15(20)17-2/h3-9,18H,1-2H3,(H,17,20)
InChIKeyLEGKWJFATCTETC-UHFFFAOYSA-N
XLogP2.47
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.47
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

3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
CID 174173825
2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
CID 174177876
3-[(1R)-1-(3,4-difluorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735513
5-N-(3,3-difluorocyclobutyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735617
5-(methylcarbamoyl)-4-(1-pyridazin-4-ylethoxy)-1H-pyrrole-2-carboxylic acid
CID 170735674
[4-[1-(2-fluorophenyl)ethoxy]-5-(methylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl] carbamate
CID 174173778
2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
CID 170735550
ethyl 4-[1-(4-chlorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735399
5-N-[(1S,3S)-3-hydroxycyclopentyl]-2-N-methyl-3-[(1S)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735592
5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 174173738
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735483

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide (CID 174203087) is 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(C=O)cc1OC(C)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is LEGKWJFATCTETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(11-5-3-4-6-12(11)16)21-13-7-10(8-19)18-14(13)15(20)17-2/h3-9,18H,1-2H3,(H,17,20).
What are the key properties of 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide?
3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 174203087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).