N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C20H17FN2O3 — CID 46342795

IUPACN-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H17FN2O3/c21-15-5-3-4-14(10-15)17(23-8-1-2-9-23)12-20(24)22-16-6-7-18-19(11-16)26-13-25-18/h1-11,17H,12-13H2,(H,22,24)
InChIKeyDJJOTASHQMDGOU-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.97
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342795) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342795
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H17FN2O3/c21-15-5-3-4-14(10-15)17(23-8-1-2-9-23)12-20(24)22-16-6-7-18-19(11-16)26-13-25-18/h1-11,17H,12-13H2,(H,22,24)
InChIKeyDJJOTASHQMDGOU-UHFFFAOYSA-N
XLogP3.97
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870
(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
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944
2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)ethanol
CID 60901511
(3S)-3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)-N-(4-fluorophenyl)propanamide
CID 1480764
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
CID 859487

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 46342795) is N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is O=C(CC(c1cccc(F)c1)n1cccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is DJJOTASHQMDGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-15-5-3-4-14(10-15)17(23-8-1-2-9-23)12-20(24)22-16-6-7-18-19(11-16)26-13-25-18/h1-11,17H,12-13H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 352.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).