(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone

C17H16BrNO — CID 41264423

IUPAC(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C17H16BrNO/c18-15-9-4-8-14(12-15)17(20)19-11-5-10-16(19)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2/t16-/m1/s1
InChIKeyNINXJXDNJRATHT-MRXNPFEDSA-N
MW330.23 g/mol
LogP4.43
Rot. Bonds2

About (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone

(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 41264423) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
PubChem CID41264423
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C17H16BrNO/c18-15-9-4-8-14(12-15)17(20)19-11-5-10-16(19)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2/t16-/m1/s1
InChIKeyNINXJXDNJRATHT-MRXNPFEDSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 95140060
[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 95140063
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
[2-(3-bromophenyl)pyrrolidin-1-yl]-(2-ethoxy-4-pyridinyl)methanone
CID 86968098
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 51319088
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (CID 41264423) is (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is NINXJXDNJRATHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-15-9-4-8-14(12-15)17(20)19-11-5-10-16(19)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2/t16-/m1/s1.
What are the key properties of (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 330.23 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 41264423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).