(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C13H18ClFN2O — CID 119263955

IUPAC(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C13H17FN2O.ClH/c14-11-5-3-10(4-6-11)7-9-16-13(17)12-2-1-8-15-12;/h3-6,12,15H,1-2,7-9H2,(H,16,17);1H/t12-;/m0./s1
InChIKeyVOFFKUVQDFUMTA-YDALLXLXSA-N
MW272.75 g/mol
LogP1.66
Rot. Bonds4

About (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119263955) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119263955
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C13H17FN2O.ClH/c14-11-5-3-10(4-6-11)7-9-16-13(17)12-2-1-8-15-12;/h3-6,12,15H,1-2,7-9H2,(H,16,17);1H/t12-;/m0./s1
InChIKeyVOFFKUVQDFUMTA-YDALLXLXSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299555
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119263955) is (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VOFFKUVQDFUMTA-YDALLXLXSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c14-11-5-3-10(4-6-11)7-9-16-13(17)12-2-1-8-15-12;/h3-6,12,15H,1-2,7-9H2,(H,16,17);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119263955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).