2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide

C29H26BrNO — CID 44578619

IUPAC2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C29H26BrNO/c30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)31-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28H,20-21H2,(H,31,32)
InChIKeyADJIIHSTLRSGCS-UHFFFAOYSA-N
MW484.44 g/mol
LogP6.92
Rot. Bonds8

About 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide

2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide (PubChem CID 44578619) has the molecular formula C29H26BrNO and a molecular weight of 484.44 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide
PubChem CID44578619
Molecular FormulaC29H26BrNO
Molecular Weight484.44 g/mol
Exact Mass483.12
IUPAC Name2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C29H26BrNO/c30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)31-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28H,20-21H2,(H,31,32)
InChIKeyADJIIHSTLRSGCS-UHFFFAOYSA-N
XLogP6.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide (CID 44578619) is 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide?
The InChIKey is ADJIIHSTLRSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrNO/c30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)31-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28H,20-21H2,(H,31,32).
What are the key properties of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide?
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide has a molecular weight of 484.44 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)-2-phenylacetamide is sourced from PubChem (CID 44578619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).