N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C12H16ClFN2O — CID 119679710

IUPACN-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)C1CCNC1
InChIInChI=1S/C12H15FN2O.ClH/c13-11-4-2-1-3-9(11)8-15-12(16)10-5-6-14-7-10;/h1-4,10,14H,5-8H2,(H,15,16);1H
InChIKeyOTYKUKXEILMADK-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.47
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119679710) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119679710
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)C1CCNC1
InChIInChI=1S/C12H15FN2O.ClH/c13-11-4-2-1-3-9(11)8-15-12(16)10-5-6-14-7-10;/h1-4,10,14H,5-8H2,(H,15,16);1H
InChIKeyOTYKUKXEILMADK-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006596
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119286599

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119679710) is N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1F)C1CCNC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OTYKUKXEILMADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c13-11-4-2-1-3-9(11)8-15-12(16)10-5-6-14-7-10;/h1-4,10,14H,5-8H2,(H,15,16);1H.
What are the key properties of N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119679710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).