3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide

C22H23FN2O4 — CID 46342782

IUPAC3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CC(c2cccc(F)c2)n2cccc2)cc(OC)c1OC
InChIInChI=1S/C22H23FN2O4/c1-27-19-12-17(13-20(28-2)22(19)29-3)24-21(26)14-18(25-9-4-5-10-25)15-7-6-8-16(23)11-15/h4-13,18H,14H2,1-3H3,(H,24,26)
InChIKeyLMJSBBOYOCPIBO-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.27
Rot. Bonds8

About 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide

3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 46342782) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID46342782
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CC(c2cccc(F)c2)n2cccc2)cc(OC)c1OC
InChIInChI=1S/C22H23FN2O4/c1-27-19-12-17(13-20(28-2)22(19)29-3)24-21(26)14-18(25-9-4-5-10-25)15-7-6-8-16(23)11-15/h4-13,18H,14H2,1-3H3,(H,24,26)
InChIKeyLMJSBBOYOCPIBO-UHFFFAOYSA-N
XLogP4.27
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
(3R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709492
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342799
N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342795
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide (CID 46342782) is 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CC(c2cccc(F)c2)n2cccc2)cc(OC)c1OC.
What is the InChIKey of 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is LMJSBBOYOCPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-27-19-12-17(13-20(28-2)22(19)29-3)24-21(26)14-18(25-9-4-5-10-25)15-7-6-8-16(23)11-15/h4-13,18H,14H2,1-3H3,(H,24,26).
What are the key properties of 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 398.43 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 46342782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).