(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone

C25H30BrNO2 — CID 151788965

IUPAC(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(OCC2CCCN2C2CCCCCC2)cc1
InChIInChI=1S/C25H30BrNO2/c26-21-13-9-19(10-14-21)25(28)20-11-15-24(16-12-20)29-18-23-8-5-17-27(23)22-6-3-1-2-4-7-22/h9-16,22-23H,1-8,17-18H2
InChIKeyRWFHHVCPOHWWGP-UHFFFAOYSA-N
MW456.42 g/mol
LogP6.25
Rot. Bonds6

About (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone

(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone (PubChem CID 151788965) has the molecular formula C25H30BrNO2 and a molecular weight of 456.42 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone
PubChem CID151788965
Molecular FormulaC25H30BrNO2
Molecular Weight456.42 g/mol
Exact Mass455.15
IUPAC Name(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(OCC2CCCN2C2CCCCCC2)cc1
InChIInChI=1S/C25H30BrNO2/c26-21-13-9-19(10-14-21)25(28)20-11-15-24(16-12-20)29-18-23-8-5-17-27(23)22-6-3-1-2-4-7-22/h9-16,22-23H,1-8,17-18H2
InChIKeyRWFHHVCPOHWWGP-UHFFFAOYSA-N
XLogP6.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151731311
(4-bromophenyl)-[4-[(1-butylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151929620
(4-bromophenyl)-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 151594530
[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
CID 152601566
2-(4-bromophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635875
2-(4-bromophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66262292
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 166382441
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
4-(4-bromophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 66262104
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone (CID 151788965) is (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone is O=C(c1ccc(Br)cc1)c1ccc(OCC2CCCN2C2CCCCCC2)cc1.
What is the InChIKey of (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone?
The InChIKey is RWFHHVCPOHWWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrNO2/c26-21-13-9-19(10-14-21)25(28)20-11-15-24(16-12-20)29-18-23-8-5-17-27(23)22-6-3-1-2-4-7-22/h9-16,22-23H,1-8,17-18H2.
What are the key properties of (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone?
(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone has a molecular weight of 456.42 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 151788965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).