(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

C12H16ClFN2O — CID 119413852

IUPAC(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-14-11-6-7-15(8-11)12(16)9-2-4-10(13)5-3-9;/h2-5,11,14H,6-8H2,1H3;1H
InChIKeyWMIMNTIQAPRCLJ-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.68
Rot. Bonds2

About (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119413852) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119413852
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-14-11-6-7-15(8-11)12(16)9-2-4-10(13)5-3-9;/h2-5,11,14H,6-8H2,1H3;1H
InChIKeyWMIMNTIQAPRCLJ-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(2-bromo-4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413824
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (CID 119413852) is (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is WMIMNTIQAPRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-14-11-6-7-15(8-11)12(16)9-2-4-10(13)5-3-9;/h2-5,11,14H,6-8H2,1H3;1H.
What are the key properties of (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119413852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).