[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone

C20H19BrFNO — CID 55889204

IUPAC[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C20H19BrFNO/c21-15-4-1-3-14(11-15)19-5-2-10-23(19)20(24)18-12-17(18)13-6-8-16(22)9-7-13/h1,3-4,6-9,11,17-19H,2,5,10,12H2
InChIKeyHMICJQSYWGBQHD-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.06
Rot. Bonds3

About [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone

[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 55889204) has the molecular formula C20H19BrFNO and a molecular weight of 388.28 g/mol. Its IUPAC name is [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID55889204
Molecular FormulaC20H19BrFNO
Molecular Weight388.28 g/mol
Exact Mass387.06
IUPAC Name[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C20H19BrFNO/c21-15-4-1-3-14(11-15)19-5-2-10-23(19)20(24)18-12-17(18)13-6-8-16(22)9-7-13/h1,3-4,6-9,11,17-19H,2,5,10,12H2
InChIKeyHMICJQSYWGBQHD-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 124736187
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590717
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129428018
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427750
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone (CID 55889204) is [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone is O=C(C1CC1c1ccc(F)cc1)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is HMICJQSYWGBQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO/c21-15-4-1-3-14(11-15)19-5-2-10-23(19)20(24)18-12-17(18)13-6-8-16(22)9-7-13/h1,3-4,6-9,11,17-19H,2,5,10,12H2.
What are the key properties of [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 388.28 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 55889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).