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

C23H22BrNO — CID 2117799

IUPAC2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22BrNO/c24-21-13-11-18(12-14-21)17-23(26)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,25,26)
InChIKeyOMQOARKDDJLKGC-UHFFFAOYSA-N
MW408.34 g/mol
LogP5.33
Rot. Bonds7

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

2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide (PubChem CID 2117799) has the molecular formula C23H22BrNO and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
PubChem CID2117799
Molecular FormulaC23H22BrNO
Molecular Weight408.34 g/mol
Exact Mass407.09
IUPAC Name2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22BrNO/c24-21-13-11-18(12-14-21)17-23(26)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,25,26)
InChIKeyOMQOARKDDJLKGC-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 55.33
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)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide (CID 2117799) is 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide is O=C(Cc1ccc(Br)cc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is OMQOARKDDJLKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO/c24-21-13-11-18(12-14-21)17-23(26)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,25,26).
What are the key properties of 2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide?
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 408.34 g/mol, XLogP of 5.33, 7 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)acetamide is sourced from PubChem (CID 2117799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).