2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide

C18H20BrNO — CID 2915482

IUPAC2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO/c1-14(7-8-15-5-3-2-4-6-15)20-18(21)13-16-9-11-17(19)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,21)
InChIKeySXVDEUXHAZQAEV-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.13
Rot. Bonds6

About 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide

2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 2915482) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID2915482
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO/c1-14(7-8-15-5-3-2-4-6-15)20-18(21)13-16-9-11-17(19)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,21)
InChIKeySXVDEUXHAZQAEV-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.13
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-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide (CID 2915482) is 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is SXVDEUXHAZQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-14(7-8-15-5-3-2-4-6-15)20-18(21)13-16-9-11-17(19)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 346.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2915482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).