[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone

C18H16BrNO2 — CID 110357643

IUPAC[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO2/c19-15-10-8-14(9-11-15)18(22)20-12-4-7-16(20)17(21)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2
InChIKeyRZIMJDHFEWKOBM-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.94
Rot. Bonds3

About [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone

[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone (PubChem CID 110357643) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
PubChem CID110357643
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO2/c19-15-10-8-14(9-11-15)18(22)20-12-4-7-16(20)17(21)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2
InChIKeyRZIMJDHFEWKOBM-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
2-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]-methylamino]acetic acid
CID 119172337
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
3-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250062

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The IUPAC name of [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone (CID 110357643) is [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The canonical SMILES for [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone is O=C(c1ccccc1)C1CCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The InChIKey is RZIMJDHFEWKOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c19-15-10-8-14(9-11-15)18(22)20-12-4-7-16(20)17(21)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2.
What are the key properties of [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone?
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone has a molecular weight of 358.24 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone is sourced from PubChem (CID 110357643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).