(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C21H21FN2O2 — CID 92709401

IUPAC(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)cc1
InChIInChI=1S/C21H21FN2O2/c1-2-26-19-10-8-18(9-11-19)23-21(25)15-20(24-12-3-4-13-24)16-6-5-7-17(22)14-16/h3-14,20H,2,15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyYKSWTBRPDNJVQV-FQEVSTJZSA-N
MW352.41 g/mol
LogP4.64
Rot. Bonds7

About (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709401) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709401
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)cc1
InChIInChI=1S/C21H21FN2O2/c1-2-26-19-10-8-18(9-11-19)23-21(25)15-20(24-12-3-4-13-24)16-6-5-7-17(22)14-16/h3-14,20H,2,15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyYKSWTBRPDNJVQV-FQEVSTJZSA-N
XLogP4.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 92710176
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46342782
N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342927
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
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
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
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 92709401) is (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is CCOc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)cc1.
What is the InChIKey of (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is YKSWTBRPDNJVQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-2-26-19-10-8-18(9-11-19)23-21(25)15-20(24-12-3-4-13-24)16-6-5-7-17(22)14-16/h3-14,20H,2,15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 352.41 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).