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

C16H18FN3O3 — CID 174173738

IUPAC5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(NC(C)=O)cc1OCCc1ccccc1F
InChIInChI=1S/C16H18FN3O3/c1-10(21)19-14-9-13(15(20-14)16(22)18-2)23-8-7-11-5-3-4-6-12(11)17/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyDMGPTUHQMXFCRD-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.09
Rot. Bonds6

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

5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 174173738) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID174173738
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(NC(C)=O)cc1OCCc1ccccc1F
InChIInChI=1S/C16H18FN3O3/c1-10(21)19-14-9-13(15(20-14)16(22)18-2)23-8-7-11-5-3-4-6-12(11)17/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyDMGPTUHQMXFCRD-UHFFFAOYSA-N
XLogP2.09
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
CID 174173825
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
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
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
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide (CID 174173738) is 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(NC(C)=O)cc1OCCc1ccccc1F.
What is the InChIKey of 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is DMGPTUHQMXFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10(21)19-14-9-13(15(20-14)16(22)18-2)23-8-7-11-5-3-4-6-12(11)17/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide?
5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 174173738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).