(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H21FN2O2 — CID 8002204

IUPAC(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-14(24-18-10-4-15(20)5-11-18)19(23)21-16-6-8-17(9-7-16)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyFREGCHIORPLLON-CQSZACIVSA-N
MW328.39 g/mol
LogP3.83
Rot. Bonds5

About (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide

(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 8002204) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID8002204
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-14(24-18-10-4-15(20)5-11-18)19(23)21-16-6-8-17(9-7-16)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyFREGCHIORPLLON-CQSZACIVSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7649771
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 8002204) is (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is FREGCHIORPLLON-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(24-18-10-4-15(20)5-11-18)19(23)21-16-6-8-17(9-7-16)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 8002204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).