2-(4-bromophenyl)-N-(1-phenylethyl)acetamide

C16H16BrNO — CID 2887072

IUPAC2-(4-bromophenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-12(14-5-3-2-4-6-14)18-16(19)11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyIANNJXDZFQMSKL-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide

2-(4-bromophenyl)-N-(1-phenylethyl)acetamide (PubChem CID 2887072) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-phenylethyl)acetamide
PubChem CID2887072
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(4-bromophenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-12(14-5-3-2-4-6-14)18-16(19)11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyIANNJXDZFQMSKL-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.87
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-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide (CID 2887072) is 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide?
The InChIKey is IANNJXDZFQMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12(14-5-3-2-4-6-14)18-16(19)11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide?
2-(4-bromophenyl)-N-(1-phenylethyl)acetamide has a molecular weight of 318.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2887072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).