3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide

C21H21FN2O — CID 46342788

IUPAC3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)NCCc1ccccc1
InChIInChI=1S/C21H21FN2O/c22-19-10-6-9-18(15-19)20(24-13-4-5-14-24)16-21(25)23-12-11-17-7-2-1-3-8-17/h1-10,13-15,20H,11-12,16H2,(H,23,25)
InChIKeyOLBWJQYDRNOWBU-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.97
Rot. Bonds7

About 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide

3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342788) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342788
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)NCCc1ccccc1
InChIInChI=1S/C21H21FN2O/c22-19-10-6-9-18(15-19)20(24-13-4-5-14-24)16-21(25)23-12-11-17-7-2-1-3-8-17/h1-10,13-15,20H,11-12,16H2,(H,23,25)
InChIKeyOLBWJQYDRNOWBU-UHFFFAOYSA-N
XLogP3.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342761
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708926
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid
CID 84746879
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
(3R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709492
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide (CID 46342788) is 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide is O=C(CC(c1cccc(F)c1)n1cccc1)NCCc1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is OLBWJQYDRNOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-19-10-6-9-18(15-19)20(24-13-4-5-14-24)16-21(25)23-12-11-17-7-2-1-3-8-17/h1-10,13-15,20H,11-12,16H2,(H,23,25).
What are the key properties of 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide?
3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 336.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).