3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

C19H20FN3O3 — CID 136530045

IUPAC3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)C2)c1
InChIInChI=1S/C19H20FN3O3/c1-21-18(24)13-4-2-6-15(10-13)22-19(25)23-9-8-17(12-23)26-16-7-3-5-14(20)11-16/h2-7,10-11,17H,8-9,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyZJIRFMHKJONYOG-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 136530045) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID136530045
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)C2)c1
InChIInChI=1S/C19H20FN3O3/c1-21-18(24)13-4-2-6-15(10-13)22-19(25)23-9-8-17(12-23)26-16-7-3-5-14(20)11-16/h2-7,10-11,17H,8-9,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyZJIRFMHKJONYOG-UHFFFAOYSA-N
XLogP2.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 24905400
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838670
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 154798666
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-[2-hydroxyethyl(methyl)amino]piperidine-1-carboxamide
CID 75449902
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (CID 136530045) is 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)C2)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ZJIRFMHKJONYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21-18(24)13-4-2-6-15(10-13)22-19(25)23-9-8-17(12-23)26-16-7-3-5-14(20)11-16/h2-7,10-11,17H,8-9,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136530045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).