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

C24H25FN2O4 — CID 5062409

IUPAC3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)c(OC)c1
InChIInChI=1S/C24H25FN2O4/c1-15-20(16(2)28)14-22(17-5-7-18(25)8-6-17)27(15)12-11-24(29)26-21-10-9-19(30-3)13-23(21)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)
InChIKeyJKGKBDYBHBVOLD-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.85
Rot. Bonds8

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

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 5062409) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID5062409
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)c(OC)c1
InChIInChI=1S/C24H25FN2O4/c1-15-20(16(2)28)14-22(17-5-7-18(25)8-6-17)27(15)12-11-24(29)26-21-10-9-19(30-3)13-23(21)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)
InChIKeyJKGKBDYBHBVOLD-UHFFFAOYSA-N
XLogP4.85
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide (CID 5062409) is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)c(OC)c1.
What is the InChIKey of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is JKGKBDYBHBVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-15-20(16(2)28)14-22(17-5-7-18(25)8-6-17)27(15)12-11-24(29)26-21-10-9-19(30-3)13-23(21)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,26,29).
What are the key properties of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 424.47 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 5062409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).