3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide

C15H14FN3O2 — CID 24715175

IUPAC3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCNC(=O)c1c(C#N)ccn1-c1cccc(F)c1
InChIInChI=1S/C15H14FN3O2/c1-21-8-6-18-15(20)14-11(10-17)5-7-19(14)13-4-2-3-12(16)9-13/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyJJDOVEJOTGRJFI-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.86
Rot. Bonds5

About 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide

3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 24715175) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID24715175
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCNC(=O)c1c(C#N)ccn1-c1cccc(F)c1
InChIInChI=1S/C15H14FN3O2/c1-21-8-6-18-15(20)14-11(10-17)5-7-19(14)13-4-2-3-12(16)9-13/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyJJDOVEJOTGRJFI-UHFFFAOYSA-N
XLogP1.86
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-1-(2,5-difluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 3902580
1-(3-bromophenyl)-3-cyano-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 5104581
3-cyano-N-hexyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748353
1-(3-bromophenyl)-3-cyano-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4236090
3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748352
N-benzyl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide
CID 809837
3-cyano-1-(3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 42748058
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium
CID 7124123
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate
CID 130220779
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
3-cyano-1-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 42748453

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide (CID 24715175) is 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide is COCCNC(=O)c1c(C#N)ccn1-c1cccc(F)c1.
What is the InChIKey of 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is JJDOVEJOTGRJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-21-8-6-18-15(20)14-11(10-17)5-7-19(14)13-4-2-3-12(16)9-13/h2-5,7,9H,6,8H2,1H3,(H,18,20).
What are the key properties of 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 24715175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).