(4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone

C24H22BrNO — CID 139183616

IUPAC(4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CC(c2ccccc2)(c2ccccc2)CN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H22BrNO/c1-18-16-24(20-8-4-2-5-9-20,21-10-6-3-7-11-21)17-26(18)23(27)19-12-14-22(25)15-13-19/h2-15,18H,16-17H2,1H3/t18-/m1/s1
InChIKeyIAPURDDXJBLVGA-GOSISDBHSA-N
MW420.35 g/mol
LogP5.67
Rot. Bonds3

About (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone

(4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone (PubChem CID 139183616) has the molecular formula C24H22BrNO and a molecular weight of 420.35 g/mol. Its IUPAC name is (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone
PubChem CID139183616
Molecular FormulaC24H22BrNO
Molecular Weight420.35 g/mol
Exact Mass419.09
IUPAC Name(4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CC(c2ccccc2)(c2ccccc2)CN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H22BrNO/c1-18-16-24(20-8-4-2-5-9-20,21-10-6-3-7-11-21)17-26(18)23(27)19-12-14-22(25)15-13-19/h2-15,18H,16-17H2,1H3/t18-/m1/s1
InChIKeyIAPURDDXJBLVGA-GOSISDBHSA-N
XLogP5.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone (CID 139183616) is (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone is C[C@@H]1CC(c2ccccc2)(c2ccccc2)CN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone?
The InChIKey is IAPURDDXJBLVGA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22BrNO/c1-18-16-24(20-8-4-2-5-9-20,21-10-6-3-7-11-21)17-26(18)23(27)19-12-14-22(25)15-13-19/h2-15,18H,16-17H2,1H3/t18-/m1/s1.
What are the key properties of (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone?
(4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone has a molecular weight of 420.35 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 139183616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).