(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide

C21H21FN2O2 — CID 92709429

IUPAC(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(CNC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)c1
InChIInChI=1S/C21H21FN2O2/c1-26-19-9-4-6-16(12-19)15-23-21(25)14-20(24-10-2-3-11-24)17-7-5-8-18(22)13-17/h2-13,20H,14-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyFLNBRADEINVYIX-FQEVSTJZSA-N
MW352.41 g/mol
LogP3.93
Rot. Bonds7

About (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide

(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide (PubChem CID 92709429) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
PubChem CID92709429
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(CNC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)c1
InChIInChI=1S/C21H21FN2O2/c1-26-19-9-4-6-16(12-19)15-23-21(25)14-20(24-10-2-3-11-24)17-7-5-8-18(22)13-17/h2-13,20H,14-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyFLNBRADEINVYIX-FQEVSTJZSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46342782
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342761
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide (CID 92709429) is (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide is COc1cccc(CNC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)c1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is FLNBRADEINVYIX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-26-19-9-4-6-16(12-19)15-23-21(25)14-20(24-10-2-3-11-24)17-7-5-8-18(22)13-17/h2-13,20H,14-15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide?
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 352.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).