3-bromo-N-(1-phenylethyl)benzamide

C15H14BrNO — CID 603182

IUPAC3-bromo-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,1H3,(H,17,18)
InChIKeyHMYKUFFNKSBISJ-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.94
Rot. Bonds3

About 3-bromo-N-(1-phenylethyl)benzamide

3-bromo-N-(1-phenylethyl)benzamide (PubChem CID 603182) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 3-bromo-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-phenylethyl)benzamide
PubChem CID603182
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name3-bromo-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,1H3,(H,17,18)
InChIKeyHMYKUFFNKSBISJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-bromo-N-(1-phenylethyl)benzamide (CID 603182) is 3-bromo-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-bromo-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-phenylethyl)benzamide?
The InChIKey is HMYKUFFNKSBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(1-phenylethyl)benzamide?
3-bromo-N-(1-phenylethyl)benzamide has a molecular weight of 304.19 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).