(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone

C17H15BrFNO — CID 114559410

IUPAC(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Br)N1CCCC1c1ccccc1
InChIInChI=1S/C17H15BrFNO/c18-13-8-4-9-14(19)16(13)17(21)20-11-5-10-15(20)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2
InChIKeyCHYASRQVCHANJZ-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.57
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone

(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 114559410) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID114559410
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Br)N1CCCC1c1ccccc1
InChIInChI=1S/C17H15BrFNO/c18-13-8-4-9-14(19)16(13)17(21)20-11-5-10-15(20)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2
InChIKeyCHYASRQVCHANJZ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(2-bromo-6-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 104939537
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-6-fluorophenyl)methanone
CID 115678205
(2-bromo-6-fluorophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104939562
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(2-bromo-6-fluorophenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 114561150
(4,5-dibromothiophen-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42932859
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(2-bromo-6-fluorophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 115679088

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 114559410) is (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1c(F)cccc1Br)N1CCCC1c1ccccc1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is CHYASRQVCHANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-13-8-4-9-14(19)16(13)17(21)20-11-5-10-15(20)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 348.22 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114559410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).