(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone

C17H15BrFNO — CID 62070029

IUPAC(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H15BrFNO/c18-16-7-6-14(19)10-15(16)17(21)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2
InChIKeyHZXBUJBVYGQYIF-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.22
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone

(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 62070029) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID62070029
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H15BrFNO/c18-16-7-6-14(19)10-15(16)17(21)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2
InChIKeyHZXBUJBVYGQYIF-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-bromo-5-fluorophenyl)methanone
CID 9225712
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-fluorophenyl)methanone
CID 43407318
(2-bromo-5-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81483550
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
(2-bromo-5-fluorophenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801371
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(4,5-dibromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 78986133
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 62070029) is (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1cc(F)ccc1Br)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is HZXBUJBVYGQYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-16-7-6-14(19)10-15(16)17(21)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 348.22 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62070029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).