3-bromo-N-(2-phenylethyl)benzamide

C15H14BrNO — CID 787883

IUPAC3-bromo-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChIKeyHMWLHGJHPSGMEB-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.42
Rot. Bonds4

About 3-bromo-N-(2-phenylethyl)benzamide

3-bromo-N-(2-phenylethyl)benzamide (PubChem CID 787883) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 3-bromo-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-phenylethyl)benzamide
PubChem CID787883
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name3-bromo-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChIKeyHMWLHGJHPSGMEB-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-phenylethyl)benzamide (CID 787883) is 3-bromo-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-phenylethyl)benzamide?
The InChIKey is HMWLHGJHPSGMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of 3-bromo-N-(2-phenylethyl)benzamide?
3-bromo-N-(2-phenylethyl)benzamide has a molecular weight of 304.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 787883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).