1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone

C18H18BrNO — CID 62133026

IUPAC1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(c2ccccc2)C1)c1ccccc1Br
InChIInChI=1S/C18H18BrNO/c19-17-9-5-4-8-16(17)18(21)13-20-11-10-15(12-20)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyDHRXTGJYFJWNPI-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.12
Rot. Bonds4

About 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone

1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 62133026) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID62133026
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(c2ccccc2)C1)c1ccccc1Br
InChIInChI=1S/C18H18BrNO/c19-17-9-5-4-8-16(17)18(21)13-20-11-10-15(12-20)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyDHRXTGJYFJWNPI-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680607
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone
CID 62070394
1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170584
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone
CID 79943573
1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54977317
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone (CID 62133026) is 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone is O=C(CN1CCC(c2ccccc2)C1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is DHRXTGJYFJWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-17-9-5-4-8-16(17)18(21)13-20-11-10-15(12-20)14-6-2-1-3-7-14/h1-9,15H,10-13H2.
What are the key properties of 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 344.25 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62133026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).