[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride

C11H13Cl2FN2O — CID 119934207

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H12ClFN2O.ClH/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15;/h1-2,5,8H,3-4,6,14H2;1H/t8-;/m0./s1
InChIKeyHTAHSWDEBSKJDO-QRPNPIFTSA-N
MW279.14 g/mol
LogP2.07
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride

[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride (PubChem CID 119934207) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
PubChem CID119934207
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H12ClFN2O.ClH/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15;/h1-2,5,8H,3-4,6,14H2;1H/t8-;/m0./s1
InChIKeyHTAHSWDEBSKJDO-QRPNPIFTSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-nitrophenyl)methanone;hydrochloride
CID 119934218
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(4-chlorophenyl)-2-fluorophenyl]methanone;hydrochloride
CID 119486781
(4-chloro-2-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482496
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride (CID 119934207) is [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride is Cl.N[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The InChIKey is HTAHSWDEBSKJDO-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H12ClFN2O.ClH/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15;/h1-2,5,8H,3-4,6,14H2;1H/t8-;/m0./s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride has a molecular weight of 279.14 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119934207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).