N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C21H21FN2O3 — CID 46342767

IUPACN-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cc(NC(=O)CC(c2cccc(F)c2)n2cccc2)cc(OC)c1
InChIInChI=1S/C21H21FN2O3/c1-26-18-11-17(12-19(13-18)27-2)23-21(25)14-20(24-8-3-4-9-24)15-6-5-7-16(22)10-15/h3-13,20H,14H2,1-2H3,(H,23,25)
InChIKeyGEBMXWAPBQHVIO-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.26
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342767) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342767
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cc(NC(=O)CC(c2cccc(F)c2)n2cccc2)cc(OC)c1
InChIInChI=1S/C21H21FN2O3/c1-26-18-11-17(12-19(13-18)27-2)23-21(25)14-20(24-8-3-4-9-24)15-6-5-7-16(22)10-15/h3-13,20H,14H2,1-2H3,(H,23,25)
InChIKeyGEBMXWAPBQHVIO-UHFFFAOYSA-N
XLogP4.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46342782
(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
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429
(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
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 46342767) is N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is COc1cc(NC(=O)CC(c2cccc(F)c2)n2cccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is GEBMXWAPBQHVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-26-18-11-17(12-19(13-18)27-2)23-21(25)14-20(24-8-3-4-9-24)15-6-5-7-16(22)10-15/h3-13,20H,14H2,1-2H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 368.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).