N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride

C14H20ClFN2O2 — CID 119804506

IUPACN-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCNC1)Oc1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-10(19-13-4-2-12(15)3-5-13)8-17-14(18)11-6-7-16-9-11;/h2-5,10-11,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyYZXRILMABXJBGL-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119804506) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119804506
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC NameN-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCNC1)Oc1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-10(19-13-4-2-12(15)3-5-13)8-17-14(18)11-6-7-16-9-11;/h2-5,10-11,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyYZXRILMABXJBGL-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide
CID 119804722
N-[2-(3-chlorophenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119336993
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
3-[2-(4-fluorophenoxy)propyl]pyrrolidine
CID 105480864
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119804506) is N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride is CC(CNC(=O)C1CCNC1)Oc1ccc(F)cc1.Cl.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YZXRILMABXJBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c1-10(19-13-4-2-12(15)3-5-13)8-17-14(18)11-6-7-16-9-11;/h2-5,10-11,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119804506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).