(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C14H20ClFN2O2 — CID 119292618

IUPAC(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-9(17-14(18)12-4-3-7-16-12)11-8-10(15)5-6-13(11)19-2;/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18);1H/t9?,12-;/m0./s1
InChIKeyFXMQCPUJNCTKNB-RLOOEAFISA-N
MW302.78 g/mol
LogP2.19
Rot. Bonds4

About (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119292618) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119292618
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-9(17-14(18)12-4-3-7-16-12)11-8-10(15)5-6-13(11)19-2;/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18);1H/t9?,12-;/m0./s1
InChIKeyFXMQCPUJNCTKNB-RLOOEAFISA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43712314
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729459
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986441

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119292618) is (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(F)cc1C(C)NC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FXMQCPUJNCTKNB-RLOOEAFISA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c1-9(17-14(18)12-4-3-7-16-12)11-8-10(15)5-6-13(11)19-2;/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18);1H/t9?,12-;/m0./s1.
What are the key properties of (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119292618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).