N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

C17H21FN2O3 — CID 166410978

IUPACN-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)NCCCOc1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c1-2-16(21)20-10-4-8-15(20)17(22)19-9-5-11-23-14-7-3-6-13(18)12-14/h2-3,6-7,12,15H,1,4-5,8-11H2,(H,19,22)
InChIKeyTUNURYKXXHCZAU-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.89
Rot. Bonds7

About N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 166410978) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID166410978
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)NCCCOc1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c1-2-16(21)20-10-4-8-15(20)17(22)19-9-5-11-23-14-7-3-6-13(18)12-14/h2-3,6-7,12,15H,1,4-5,8-11H2,(H,19,22)
InChIKeyTUNURYKXXHCZAU-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 35097802
1-(4-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 24615813
(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969846
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333
tert-butyl (2R)-2-[3-[2-(3-fluorophenoxy)ethylamino]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 124889172
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
1-(4-phenoxybutanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600518
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406182
1-[(2R)-2-[(2R)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325300

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 166410978) is N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCCC1C(=O)NCCCOc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is TUNURYKXXHCZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-2-16(21)20-10-4-8-15(20)17(22)19-9-5-11-23-14-7-3-6-13(18)12-14/h2-3,6-7,12,15H,1,4-5,8-11H2,(H,19,22).
What are the key properties of N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166410978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).