3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide

C24H25FN2O3 — CID 5061569

IUPAC3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C24H25FN2O3/c1-4-30-21-11-9-20(10-12-21)26-24(29)13-14-27-16(2)22(17(3)28)15-23(27)18-5-7-19(25)8-6-18/h5-12,15H,4,13-14H2,1-3H3,(H,26,29)
InChIKeyPSMQXCDYMAUVBW-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.23
Rot. Bonds8

About 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide (PubChem CID 5061569) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
PubChem CID5061569
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C24H25FN2O3/c1-4-30-21-11-9-20(10-12-21)26-24(29)13-14-27-16(2)22(17(3)28)15-23(27)18-5-7-19(25)8-6-18/h5-12,15H,4,13-14H2,1-3H3,(H,26,29)
InChIKeyPSMQXCDYMAUVBW-UHFFFAOYSA-N
XLogP5.23
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide 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-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
CID 5062404
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
CID 3665068
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3397645
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
methyl 1-(4-ethoxyphenyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate
CID 102252860
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20885261
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
CID 4994805
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441

Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide (CID 5061569) is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)cc1.
What is the InChIKey of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is PSMQXCDYMAUVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-4-30-21-11-9-20(10-12-21)26-24(29)13-14-27-16(2)22(17(3)28)15-23(27)18-5-7-19(25)8-6-18/h5-12,15H,4,13-14H2,1-3H3,(H,26,29).
What are the key properties of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide?
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 408.47 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 5061569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).